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

Systemtic Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethyl carbonate Openeye Name: [(8S,9S,10R,11S,13S,14S,17R)-17-(2-ethoxycarbonyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate CAS Name: carbonic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ethyl ester IUPAC Name: [(8S,9S,10R,11S,13S,14S,17R)-17-(2-ethoxycarbonyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate Traditional Name: carbonic acid [(8S,9S,10R,11S,13S,14S,17R)-17-(2-carbethoxyoxyacetyl)-11-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethyl ester Formula: C27H38O9 MolecularWeight: 506.58522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)OC(=O)OCC

Isomeric SMILES

CCOC(=O)OCC(=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)OC(=O)OCC

InChI

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