[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] cyclopropanecarboxylate

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] cyclopropanecarboxylate 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] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic 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] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic 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: C29H37ClO8 MolecularWeight: 549.05228

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OC1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C(=O)COC(=O)C5CC5

Isomeric SMILES

CCCOC(=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)C5CC5

InChI

InChI=1S/C29H37ClO8/c1-4-13-36-25(35)38-28(23(33)16-37-24(34)17-5-6-17)12-10-20-21-8-7-18-14-19(31)9-11-26(18,2)29(21,30)22(32)15-27(20,28)3/h9,11,14,17,20-22,32H,4-8,10,12-13,15-16H2,1-3H3/t20-,21-,22?,26-,27-,28-,29-/m0/s1