[2-[(8S,9R,10S,13S,14S,16R,17R)-9-chloranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-propoxycarbonyloxy-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,16R,17R)-9-chloranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-propoxycarbonyloxy-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,16R,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propoxycarbonyloxy-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,16R,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-[oxo(propoxy)methoxy]-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9R,10S,13S,14S,16R,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propoxycarbonyloxy-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,16R,17R)-9-chloro-11-hydroxy-3-keto-10,13,16-trimethyl-17-propoxycarbonyloxy-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:

CCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)OCCC

Isomeric SMILES

CCCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)OCCC

InChI

InChI=1S/C30H41ClO8/c1-6-8-25(35)38-17-24(34)30(39-26(36)37-13-7-2)18(3)14-22-21-10-9-19-15-20(32)11-12-27(19,4)29(21,31)23(33)16-28(22,30)5/h11-12,15,18,21-23,33H,6-10,13-14,16-17H2,1-5H3/t18-,21+,22+,23?,27+,28+,29+,30+/m1/s1