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

Systemtic Name: [2-[(8S,9R,10S,13S,14S,17R)-9-chloranyl-17-methoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-[(8S,9R,10S,13S,14S,17R)-9-chloro-11-hydroxy-17-methoxycarbonyloxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[(8S,9R,10S,13S,14S,17R)-9-chloro-11-hydroxy-17-methoxycarbonyloxy-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)-9-chloro-11-hydroxy-17-methoxycarbonyloxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-[(8S,9R,10S,13S,14S,17R)-17-carbomethoxyoxy-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: C28H37ClO8 MolecularWeight: 537.04158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(=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)OC

InChI

InChI=1S/C28H37ClO8/c1-5-6-7-23(33)36-16-22(32)27(37-24(34)35-4)13-11-19-20-9-8-17-14-18(30)10-12-25(17,2)28(20,29)21(31)15-26(19,27)3/h10,12,14,19-21,31H,5-9,11,13,15-16H2,1-4H3/t19-,20-,21?,25-,26-,27-,28-/m0/s1