[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] methyl carbonate

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] methyl carbonate 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] methyl carbonate CAS Name: carbonic 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] methyl 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] methyl carbonate Traditional Name: carbonic acid [(8S,9S,10R,11S,13S,14S,17R)-17-(2-carbomethoxyoxyacetyl)-11-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propyl ester Formula: C27H38O9 MolecularWeight: 506.58522

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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)OC

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)OC

InChI

InChI=1S/C27H38O9/c1-5-12-34-24(32)36-27(21(30)15-35-23(31)33-4)11-9-19-18-7-6-16-13-17(28)8-10-25(16,2)22(18)20(29)14-26(19,27)3/h13,18-20,22,29H,5-12,14-15H2,1-4H3/t18-,19-,20-,22+,25-,26-,27-/m0/s1