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

Systemtic Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-propoxycarbonyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-propoxycarbonyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-[oxo(propoxy)methoxy]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-propoxycarbonyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-3-keto-10,13-dimethyl-17-propoxycarbonyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C27H38O8 MolecularWeight: 490.58582

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)COC(=O)C

Isomeric SMILES

CCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)C

InChI

InChI=1S/C27H38O8/c1-5-12-33-24(32)35-27(22(31)15-34-16(2)28)11-9-20-19-7-6-17-13-18(29)8-10-25(17,3)23(19)21(30)14-26(20,27)4/h13,19-21,23,30H,5-12,14-15H2,1-4H3/t19-,20-,21-,23+,25-,26-,27-/m0/s1