[2-[(8S,9R,10S,13S,14S,17R)-9-chloranyl-17-ethoxycarbonyloxy-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)-9-chloranyl-17-ethoxycarbonyloxy-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)-9-chloro-17-ethoxycarbonyloxy-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)-9-chloro-17-ethoxycarbonyloxy-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)-9-chloro-17-ethoxycarbonyloxy-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-carbethoxyoxy-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: C26H33ClO8 MolecularWeight: 508.98842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C26H33ClO8/c1-5-33-22(32)35-25(21(31)14-34-15(2)28)11-9-18-19-7-6-16-12-17(29)8-10-23(16,3)26(19,27)20(30)13-24(18,25)4/h8,10,12,18-20,30H,5-7,9,11,13-14H2,1-4H3/t18-,19-,20?,23-,24-,25-,26-/m0/s1