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

Systemtic Name: [(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylpropoxycarbonyloxy)ethanoyl]-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate Openeye Name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-isobutoxycarbonyloxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate CAS Name: carbonic acid [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-[2-[2-methylpropoxy(oxo)methoxy]-1-oxoethyl]-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl ester IUPAC Name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-[2-(2-methylpropoxycarbonyloxy)acetyl]-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] methyl carbonate Traditional Name: carbonic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-17-carbomethoxyoxy-11-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] isobutyl ester Formula: C28H40O9 MolecularWeight: 520.6118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)COC(=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)OC

InChI

InChI=1S/C28H40O9/c1-16(2)14-35-25(33)36-15-22(31)28(37-24(32)34-5)11-9-20-19-7-6-17-12-18(29)8-10-26(17,3)23(19)21(30)13-27(20,28)4/h12,16,19-21,23,30H,6-11,13-15H2,1-5H3/t19-,20-,21-,23+,26-,27-,28-/m0/s1