About (4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid
(4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid (PubChem CID 172957065) has the molecular formula C157H203Cl6N7O32S2
and a molecular weight of 2977.22 g/mol. Its IUPAC name is (4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid.
Frequently Asked Questions
What is the IUPAC name of (4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid?
The IUPAC name of (4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid (CID 172957065) is (4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid.
What is the SMILES notation for (4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid?
The canonical SMILES for (4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid is C.C.C.CS(=O)(=O)O.CS(=O)(=O)O.C[C@H]1/C=C/CC/C=C/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O[C@@H]1C.C[C@H]1/C=C/CC/C=C/C(=N\OCc2ccccc2)Cc2c(Cl)c(O)cc(O)c2C(=O)O[C@@H]1C.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)N1CCCCC1)/C=C/CC/C=C/[C@H](C)[C@@H](C)OC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCC(=O)O)/C=C/CC/C=C/[C@H](C)[C@@H](C)OC2=O.Cc1cc(C)c2c(c1Cl)CC(=N/OCc1ccccc1)/C=C/CC/C=C/[C@H](C)[C@@H](C)OC2=O.Cc1cc(C)c2c(c1Cl)CC(=O)/C=C/CC/C=C/[C@H](C)[C@@H](C)OC2=O.
What is the InChIKey of (4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid?
The InChIKey is KARXZPACKYKXLV-HQNNKGDASA-N. The full InChI is InChI=1S/C28H37ClN2O4.C28H32ClNO3.C26H33ClN2O6.C26H28ClNO5.C23H28ClNO5.C21H25ClO3.2CH4O3S.3CH4/c1-19-12-8-5-6-9-13-23(30-34-18-25(32)31-14-10-7-11-15-31)17-24-26(28(33)35-22(19)4)20(2)16-21(3)27(24)29;1-19-12-8-5-6-11-15-24(30-32-18-23-13-9-7-10-14-23)17-25-26(28(31)33-22(19)4)20(2)16-21(3)27(25)29;1-17-10-6-3-4-7-11-19(28-34-16-23(32)29-12-8-5-9-13-29)14-20-24(26(33)35-18(17)2)21(30)15-22(31)25(20)27;1-17-10-6-3-4-9-13-20(28-32-16-19-11-7-5-8-12-19)14-21-24(26(31)33-18(17)2)22(29)15-23(30)25(21)27;1-14-9-7-5-6-8-10-18(25-29-13-20(26)27)12-19-21(23(28)30-17(14)4)15(2)11-16(3)22(19)24;1-13-9-7-5-6-8-10-17(23)12-18-19(21(24)25-16(13)4)14(2)11-15(3)20(18)22;2*1-5(2,3)4;;;/h8-9,12-13,16,19,22H,5-7,10-11,14-15,17-18H2,1-4H3;7-16,19,22H,5-6,17-18H2,1-4H3;6-7,10-11,15,17-18,30-31H,3-5,8-9,12-14,16H2,1-2H3;5-13,15,17-18,29-30H,3-4,14,16H2,1-2H3;7-11,14,17H,5-6,12-13H2,1-4H3,(H,26,27);7-11,13,16H,5-6,12H2,1-4H3;2*1H3,(H,2,3,4);3*1H4/b12-8+,13-9+,30-23+;12-8+,15-11+,30-24+;10-6+,11-7+,28-19+;10-6+,13-9+,28-20+;9-7+,10-8+,25-18+;9-7+,10-8+;;;;;/t2*19-,22+;2*17-,18+;14-,17+;13-,16+;;;;;/m000000...../s1.
What are the key properties of (4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid?
(4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid has a molecular weight of 2977.22 g/mol, XLogP of 34.97, 15 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-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,5S,6E,10E,12Z)-15-chloro-16,18-dihydroxy-4,5-dimethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione;2-[(Z)-[(4R,5S,6E,10E)-15-chloro-4,5,16,18-tetramethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetic acid;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;(4R,5S,6E,10E,12Z)-15-chloro-4,5,16,18-tetramethyl-12-phenylmethoxyimino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;methane;methanesulfonic acid is sourced from PubChem (CID 172957065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).