[1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-3,11-bis(oxidanylidene)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethyl] ethanoate

Systemtic Name: [1-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-3,11-bis(oxidanylidene)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethyl] ethanoate Openeye Name: [2-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate CAS Name: acetic acid [2-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester IUPAC Name: [2-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate Traditional Name: acetic acid [2-hydroxy-1-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-3,11-diketo-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester Formula: C23H30O6 MolecularWeight: 402.4807

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CO)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C)O

Isomeric SMILES

CC(=O)OC(CO)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O

InChI

InChI=1S/C23H30O6/c1-13(25)29-19(12-24)23(28)9-7-17-16-5-4-14-10-15(26)6-8-21(14,2)20(16)18(27)11-22(17,23)3/h6,8,10,16-17,19-20,24,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,19?,20+,21-,22-,23-/m0/s1