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

Systemtic Name: [2-[(8S,9S,10R,11S,13S,14S)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-propan-2-yloxycarbonyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-17-isopropoxycarbonyloxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-17-[oxo(propan-2-yloxy)methoxy]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-17-propan-2-yloxycarbonyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-17-isopropoxycarbonyloxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C27H36O8 MolecularWeight: 488.56994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)C

Isomeric SMILES

CC(C)OC(=O)OC1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)COC(=O)C

InChI

InChI=1S/C27H36O8/c1-15(2)34-24(32)35-27(22(31)14-33-16(3)28)11-9-20-19-7-6-17-12-18(29)8-10-25(17,4)23(19)21(30)13-26(20,27)5/h8,10,12,15,19-21,23,30H,6-7,9,11,13-14H2,1-5H3/t19-,20-,21-,23+,25-,26-,27?/m0/s1