[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] ethyl 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] 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] propyl carbonate CAS Name: carbonic acid [(8S,9S,10R,11S,13S,14S,17R)-17-(2-ethoxycarbonyloxy-1-oxoethyl)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propyl 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] propyl 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] propyl ester Formula: C28H40O9 MolecularWeight: 520.6118

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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)OCC

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)OCC

InChI

InChI=1S/C28H40O9/c1-5-13-35-25(33)37-28(22(31)16-36-24(32)34-6-2)12-10-20-19-8-7-17-14-18(29)9-11-26(17,3)23(19)21(30)15-27(20,28)4/h14,19-21,23,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,23+,26-,27-,28-/m0/s1