About (4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
(4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione (PubChem CID 172933469) has the molecular formula C148H170Cl5NO35
and a molecular weight of 2700.22 g/mol. Its IUPAC name is (4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione.
Frequently Asked Questions
What is the IUPAC name of (4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione?
The IUPAC name of (4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione (CID 172933469) is (4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione.
What is the SMILES notation for (4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione?
The canonical SMILES for (4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione is C=CCOc1cc(O)c2c(c1Cl)CC(=O)/C=C/CC/C=C/C[C@@H](C)OC2=O.CC(C)[C@@H]1CC2CC2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.CCC[C@@H]1CC2CC2CC/C=C/C(=O)Cc2cc(O)cc(O)c2C(=O)O1.C[C@@H]1C/C=C/CC/C=C/C(=N\OCc2ccccc2)Cc2c(c(O)cc(O)c2C2CCCCO2)C(=O)O1.C[C@@H]1C/C=C/CC/C=C/C=C/c2c(Cl)c(O)cc(O)c2C(=O)O1.C[C@@H]1C/C=C/CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.C[C@@H]1C[C@@H]2C[C@H]2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.
What is the InChIKey of (4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione?
The InChIKey is SWPRKGHMTUXEFO-XJNCGOQGSA-N. The full InChI is InChI=1S/C30H35NO6.C21H25ClO5.C21H23ClO5.C21H26O5.C19H21ClO5.C18H21ClO5.C18H19ClO4/c1-21-12-6-3-2-4-9-15-23(31-36-20-22-13-7-5-8-14-22)18-24-28(27-16-10-11-17-35-27)25(32)19-26(33)29(24)30(34)37-21;1-11(2)18-8-13-7-12(13)5-3-4-6-14(23)9-15-19(21(26)27-18)16(24)10-17(25)20(15)22;1-3-11-26-18-13-17(24)19-16(20(18)22)12-15(23)10-8-6-4-5-7-9-14(2)27-21(19)25;1-2-5-18-11-14-8-13(14)6-3-4-7-16(22)9-15-10-17(23)12-19(24)20(15)21(25)26-18;1-10-6-12-7-11(12)4-2-3-5-13(21)8-14-17(19(24)25-10)15(22)9-16(23)18(14)20;1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19;1-12-9-7-5-3-2-4-6-8-10-13-16(18(22)23-12)14(20)11-15(21)17(13)19/h3,5-9,13-15,19,21,27,32-33H,2,4,10-12,16-18,20H2,1H3;4,6,10-13,18,24-25H,3,5,7-9H2,1-2H3;3,5,7-8,10,13-14,24H,1,4,6,9,11-12H2,2H3;4,7,10,12-14,18,23-24H,2-3,5-6,8-9,11H2,1H3;3,5,9-12,22-23H,2,4,6-8H2,1H3;3,5,10-11,21-22H,2,4,6-9H2,1H3;4-8,10-12,20-21H,2-3,9H2,1H3/b6-3+,15-9+,31-23+;6-4+;7-5+,10-8+;7-4+;2*5-3+;6-4+,7-5+,10-8+/t21-,27?;12?,13?,18-;14-;13?,14?,18-;10-,11-,12-;11-;12-/m1011111/s1.
What are the key properties of (4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione?
(4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione has a molecular weight of 2700.22 g/mol, XLogP of 31.51, 10 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6E,10E,12E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,12,15,17-hexaen-2-one;(4R,6E)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione;(4R,6S,8R,11E)-16-chloro-17,19-dihydroxy-4-methyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4S,11E)-16-chloro-17,19-dihydroxy-4-propan-2-yl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione;(4R,6E,10E)-15-chloro-18-hydroxy-4-methyl-16-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;(4R,6E,10E,12Z)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one;(4R,11E)-17,19-dihydroxy-4-propyl-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione is sourced from PubChem (CID 172933469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).