[2-[(8S,9R,10S,13S,14S,17R)-9-chloranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-pentoxycarbonyloxy-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-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-pentoxycarbonyloxy-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-10,13-dimethyl-3-oxo-17-pentoxycarbonyloxy-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-10,13-dimethyl-3-oxo-17-[oxo(pentoxy)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-pentoxycarbonyloxy-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-amoxycarbonyloxy-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: C32H45ClO8 MolecularWeight: 593.1479

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)OC1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C(=O)COC(=O)CCCC

Isomeric SMILES

CCCCCOC(=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)CCCC

InChI

InChI=1S/C32H45ClO8/c1-5-7-9-17-39-28(38)41-31(26(36)20-40-27(37)10-8-6-2)16-14-23-24-12-11-21-18-22(34)13-15-29(21,3)32(24,33)25(35)19-30(23,31)4/h13,15,18,23-25,35H,5-12,14,16-17,19-20H2,1-4H3/t23-,24-,25?,29-,30-,31-,32-/m0/s1