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

Systemtic Name: [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(8S,9R,10S,13S,14S,17R)-17-[butoxy(oxo)methoxy]-9-chloro-11-hydroxy-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)-17-butoxycarbonyloxy-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-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:

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

Isomeric SMILES

CCCCOC(=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)C

InChI

InChI=1S/C28H37ClO8/c1-5-6-13-35-24(34)37-27(23(33)16-36-17(2)30)12-10-20-21-8-7-18-14-19(31)9-11-25(18,3)28(21,29)22(32)15-26(20,27)4/h9,11,14,20-22,32H,5-8,10,12-13,15-16H2,1-4H3/t20-,21-,22?,25-,26-,27-,28-/m0/s1