(7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one

C300H393Cl5N24O72 — CID 172973489

IUPAC(7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one
SMILESCC1/C=C/CCCOC(=O)c2c(O)cc(O)c(Cl)c2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1.CC1/C=C/CCCOC(=O)c2c(O)cc(O)c(Cl)c2CC(=N\OCC(=O)N2CCCCC2)/C=C/C1.CC1/C=C/CCCOC(=O)c2c(O)cc(O)cc2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1.CC1/C=C/CCCOC(=O)c2c(O)cc(O)cc2CC(=N\OCC(=O)N2CCCCC2)/C=C/C1.CCCC1C/C=C/CC/C(C)=C/C(=N/OCC(=O)N(CC)CC)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.CCCC1C/C=C/CC/C(C)=C/C(=N/OCC(=O)N(CC)CC)Cc2cc(O)cc(O)c2C(=O)O1.CCCC1C/C=C/CC/C(C)=C/C(=N\OCC(=O)N(CC)CC)Cc2cc(O)cc(O)c2C(=O)O1.O=C1OC/C=C/CC/C=C/C(=N\OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N/OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N\OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21
InChIInChI=1S/C27H37ClN2O6.2C27H38N2O6.2C26H33ClN2O6.2C26H34N2O6.2C23H29ClN2O6.2C23H30N2O6.C23H28N2O6/c1-5-11-20-13-10-8-9-12-18(4)14-19(29-35-17-24(33)30(6-2)7-3)15-21-25(27(34)36-20)22(31)16-23(32)26(21)28;2*1-5-11-23-13-10-8-9-12-19(4)14-21(28-34-18-25(32)29(6-2)7-3)15-20-16-22(30)17-24(31)26(20)27(33)35-23;2*1-18-9-4-2-7-14-34-26(33)24-20(25(27)22(31)16-21(24)30)15-19(11-8-10-18)28-35-17-23(32)29-12-5-3-6-13-29;2*1-19-9-4-2-7-14-33-26(32)25-20(16-22(29)17-23(25)30)15-21(11-8-10-19)27-34-18-24(31)28-12-5-3-6-13-28;2*24-22-17-13-16(25-32-15-20(29)26-10-6-4-7-11-26)9-5-2-1-3-8-12-31-23(30)21(17)18(27)14-19(22)28;3*26-19-14-17-13-18(24-31-16-21(28)25-10-6-4-7-11-25)9-5-2-1-3-8-12-30-23(29)22(17)20(27)15-19/h8,10,14,16,20,31-32H,5-7,9,11-13,15,17H2,1-4H3;2*8,10,14,16-17,23,30-31H,5-7,9,11-13,15,18H2,1-4H3;2*4,8-9,11,16,18,30-31H,2-3,5-7,10,12-15,17H2,1H3;2*4,8-9,11,16-17,19,29-30H,2-3,5-7,10,12-15,18H2,1H3;2*3,8,14,27-28H,1-2,4-7,9-13,15H2;2*3,8,14-15,26-27H,1-2,4-7,9-13,16H2;3,5,8-9,14-15,26-27H,1-2,4,6-7,10-13,16H2/b10-8+,18-14+,29-19-;10-8+,19-14+,28-21+;10-8+,19-14+,28-21-;9-4+,11-8+,28-19+;9-4+,11-8+,28-19-;9-4+,11-8+,27-21+;9-4+,11-8+,27-21-;8-3+,25-16+;8-3+,25-16-;8-3+,24-18+;8-3+,24-18-;8-3+,9-5+,24-18+
InChIKeyBVUYRFYHNZDUSN-FOOZRKKYSA-N
MW5664.81 g/mol
LogP50.74
Rot. Bonds48

About (7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one

(7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one (PubChem CID 172973489) has the molecular formula C300H393Cl5N24O72 and a molecular weight of 5664.81 g/mol. Its IUPAC name is (7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one.

Molecular Properties

Compound Name(7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one
PubChem CID172973489
Molecular FormulaC300H393Cl5N24O72
Molecular Weight5664.81 g/mol
Exact Mass5658.63
IUPAC Name(7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one
SMILESCC1/C=C/CCCOC(=O)c2c(O)cc(O)c(Cl)c2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1.CC1/C=C/CCCOC(=O)c2c(O)cc(O)c(Cl)c2CC(=N\OCC(=O)N2CCCCC2)/C=C/C1.CC1/C=C/CCCOC(=O)c2c(O)cc(O)cc2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1.CC1/C=C/CCCOC(=O)c2c(O)cc(O)cc2CC(=N\OCC(=O)N2CCCCC2)/C=C/C1.CCCC1C/C=C/CC/C(C)=C/C(=N/OCC(=O)N(CC)CC)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.CCCC1C/C=C/CC/C(C)=C/C(=N/OCC(=O)N(CC)CC)Cc2cc(O)cc(O)c2C(=O)O1.CCCC1C/C=C/CC/C(C)=C/C(=N\OCC(=O)N(CC)CC)Cc2cc(O)cc(O)c2C(=O)O1.O=C1OC/C=C/CC/C=C/C(=N\OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N/OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N\OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21
InChIInChI=1S/C27H37ClN2O6.2C27H38N2O6.2C26H33ClN2O6.2C26H34N2O6.2C23H29ClN2O6.2C23H30N2O6.C23H28N2O6/c1-5-11-20-13-10-8-9-12-18(4)14-19(29-35-17-24(33)30(6-2)7-3)15-21-25(27(34)36-20)22(31)16-23(32)26(21)28;2*1-5-11-23-13-10-8-9-12-19(4)14-21(28-34-18-25(32)29(6-2)7-3)15-20-16-22(30)17-24(31)26(20)27(33)35-23;2*1-18-9-4-2-7-14-34-26(33)24-20(25(27)22(31)16-21(24)30)15-19(11-8-10-18)28-35-17-23(32)29-12-5-3-6-13-29;2*1-19-9-4-2-7-14-33-26(32)25-20(16-22(29)17-23(25)30)15-21(11-8-10-19)27-34-18-24(31)28-12-5-3-6-13-28;2*24-22-17-13-16(25-32-15-20(29)26-10-6-4-7-11-26)9-5-2-1-3-8-12-31-23(30)21(17)18(27)14-19(22)28;3*26-19-14-17-13-18(24-31-16-21(28)25-10-6-4-7-11-25)9-5-2-1-3-8-12-30-23(29)22(17)20(27)15-19/h8,10,14,16,20,31-32H,5-7,9,11-13,15,17H2,1-4H3;2*8,10,14,16-17,23,30-31H,5-7,9,11-13,15,18H2,1-4H3;2*4,8-9,11,16,18,30-31H,2-3,5-7,10,12-15,17H2,1H3;2*4,8-9,11,16-17,19,29-30H,2-3,5-7,10,12-15,18H2,1H3;2*3,8,14,27-28H,1-2,4-7,9-13,15H2;2*3,8,14-15,26-27H,1-2,4-7,9-13,16H2;3,5,8-9,14-15,26-27H,1-2,4,6-7,10-13,16H2/b10-8+,18-14+,29-19-;10-8+,19-14+,28-21+;10-8+,19-14+,28-21-;9-4+,11-8+,28-19+;9-4+,11-8+,28-19-;9-4+,11-8+,27-21+;9-4+,11-8+,27-21-;8-3+,25-16+;8-3+,25-16-;8-3+,24-18+;8-3+,24-18-;8-3+,9-5+,24-18+
InChIKeyBVUYRFYHNZDUSN-FOOZRKKYSA-N
XLogP50.74
TPSA1303.92 Ų
H-Bond Donors24
H-Bond Acceptors84
Rotatable Bonds48
Heavy Atoms401
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005664.81
LogP ≤ 550.74
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1084

Analyze (7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one with MolForge

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Related Compounds

(6E,10E)-16,18-dihydroxy-10-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 147122779
(4R,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,10-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-16,18-dihydroxy-4,10-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 172981820
2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide
CID 159728435
(6E,10E)-16,18-dihydroxy-8-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 149073200
(4R,6E,10E,12Z)-15-chloro-8,16,18-trihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-15-chloro-8,16,18-trihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-15-chloro-5,16,18-trihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-15-chloro-8,16,18-trihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-15-chloro-8,16,18-trihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12Z)-8,16,18-trihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,6E,10E,12E)-8,16,18-trihydroxy-4-methyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12Z)-8,16,18-trihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(6E,10E,12E)-8,16,18-trihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 172950105
(6E,10E,12Z)-15-chloro-8,16,18-trimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58373236
(6E,10E,12Z)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58421999
(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one
CID 58373375
(4R,6E,10E,12E)-16,18-dihydroxy-4,10-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58422006
(6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one
CID 157449535
(6E,10E,12Z)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58421941
2-[(E)-[(6E,10E)-15-chloro-18-ethyl-16-hydroxy-2-methylidene-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-1-piperidin-1-ylethanone
CID 143835886

Frequently Asked Questions

What is the IUPAC name of (7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one?
The IUPAC name of (7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one (CID 172973489) is (7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one.
What is the SMILES notation for (7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one?
The canonical SMILES for (7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one is CC1/C=C/CCCOC(=O)c2c(O)cc(O)c(Cl)c2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1.CC1/C=C/CCCOC(=O)c2c(O)cc(O)c(Cl)c2CC(=N\OCC(=O)N2CCCCC2)/C=C/C1.CC1/C=C/CCCOC(=O)c2c(O)cc(O)cc2CC(=N/OCC(=O)N2CCCCC2)/C=C/C1.CC1/C=C/CCCOC(=O)c2c(O)cc(O)cc2CC(=N\OCC(=O)N2CCCCC2)/C=C/C1.CCCC1C/C=C/CC/C(C)=C/C(=N/OCC(=O)N(CC)CC)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.CCCC1C/C=C/CC/C(C)=C/C(=N/OCC(=O)N(CC)CC)Cc2cc(O)cc(O)c2C(=O)O1.CCCC1C/C=C/CC/C(C)=C/C(=N\OCC(=O)N(CC)CC)Cc2cc(O)cc(O)c2C(=O)O1.O=C1OC/C=C/CC/C=C/C(=N\OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N/OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N/OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21.O=C1OC/C=C/CCCC/C(=N\OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21.
What is the InChIKey of (7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one?
The InChIKey is BVUYRFYHNZDUSN-FOOZRKKYSA-N. The full InChI is InChI=1S/C27H37ClN2O6.2C27H38N2O6.2C26H33ClN2O6.2C26H34N2O6.2C23H29ClN2O6.2C23H30N2O6.C23H28N2O6/c1-5-11-20-13-10-8-9-12-18(4)14-19(29-35-17-24(33)30(6-2)7-3)15-21-25(27(34)36-20)22(31)16-23(32)26(21)28;2*1-5-11-23-13-10-8-9-12-19(4)14-21(28-34-18-25(32)29(6-2)7-3)15-20-16-22(30)17-24(31)26(20)27(33)35-23;2*1-18-9-4-2-7-14-34-26(33)24-20(25(27)22(31)16-21(24)30)15-19(11-8-10-18)28-35-17-23(32)29-12-5-3-6-13-29;2*1-19-9-4-2-7-14-33-26(32)25-20(16-22(29)17-23(25)30)15-21(11-8-10-19)27-34-18-24(31)28-12-5-3-6-13-28;2*24-22-17-13-16(25-32-15-20(29)26-10-6-4-7-11-26)9-5-2-1-3-8-12-31-23(30)21(17)18(27)14-19(22)28;3*26-19-14-17-13-18(24-31-16-21(28)25-10-6-4-7-11-25)9-5-2-1-3-8-12-30-23(29)22(17)20(27)15-19/h8,10,14,16,20,31-32H,5-7,9,11-13,15,17H2,1-4H3;2*8,10,14,16-17,23,30-31H,5-7,9,11-13,15,18H2,1-4H3;2*4,8-9,11,16,18,30-31H,2-3,5-7,10,12-15,17H2,1H3;2*4,8-9,11,16-17,19,29-30H,2-3,5-7,10,12-15,18H2,1H3;2*3,8,14,27-28H,1-2,4-7,9-13,15H2;2*3,8,14-15,26-27H,1-2,4-7,9-13,16H2;3,5,8-9,14-15,26-27H,1-2,4,6-7,10-13,16H2/b10-8+,18-14+,29-19-;10-8+,19-14+,28-21+;10-8+,19-14+,28-21-;9-4+,11-8+,28-19+;9-4+,11-8+,28-19-;9-4+,11-8+,27-21+;9-4+,11-8+,27-21-;8-3+,25-16+;8-3+,25-16-;8-3+,24-18+;8-3+,24-18-;8-3+,9-5+,24-18+.
What are the key properties of (7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one?
(7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one has a molecular weight of 5664.81 g/mol, XLogP of 50.74, 48 rotatable bonds, 24 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11E,13Z)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-16-chloro-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(E)-[(6E,10E)-15-chloro-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,11Z)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-14-chloro-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(7E,11E,13Z)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;(7E,11E,13E)-17,19-dihydroxy-9-methyl-13-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[13.4.0]nonadeca-1(15),7,11,16,18-pentaen-2-one;2-[(Z)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;2-[(E)-[(6E,10E)-16,18-dihydroxy-10-methyl-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide;(5E,9E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one;(5E,11Z)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one;(5E,11E)-15,17-dihydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,14,16-tetraen-2-one is sourced from PubChem (CID 172973489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).