[2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[(8S,9R,10S,13S,14S,17R)-17-[butoxy(oxo)methoxy]-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate Traditional Name: butyric acid [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloro-11-hydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C30H41ClO8 MolecularWeight: 565.09474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C(=O)COC(=O)CCC

Isomeric SMILES

CCCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C(=O)COC(=O)CCC

InChI

InChI=1S/C30H41ClO8/c1-5-7-15-37-26(36)39-29(24(34)18-38-25(35)8-6-2)14-12-21-22-10-9-19-16-20(32)11-13-27(19,3)30(22,31)23(33)17-28(21,29)4/h11,13,16,21-23,33H,5-10,12,14-15,17-18H2,1-4H3/t21-,22-,23?,27-,28-,29-,30-/m0/s1