[2-[(8S,9R,10S,13S,14S,17R)-9-chloranyl-10,13-dimethyl-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,17R)-9-chloranyl-10,13-dimethyl-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,17R)-9-chloro-11-hydroxy-10,13-dimethyl-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,17R)-9-chloro-11-hydroxy-10,13-dimethyl-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,17R)-9-chloro-11-hydroxy-10,13-dimethyl-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,17R)-9-chloro-11-hydroxy-3-keto-10,13-dimethyl-17-propoxycarbonyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C29H39ClO8 MolecularWeight: 551.06816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)OC(=O)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H39ClO8/c1-5-7-24(34)37-17-23(33)28(38-25(35)36-14-6-2)13-11-20-21-9-8-18-15-19(31)10-12-26(18,3)29(21,30)22(32)16-27(20,28)4/h10,12,15,20-22,32H,5-9,11,13-14,16-17H2,1-4H3/t20-,21-,22?,26-,27-,28-,29-/m0/s1