[(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] ethyl 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] ethyl carbonate Openeye Name: [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-oxo-ethyl] isobutyl 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] 2-methylpropyl ester IUPAC Name: [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] 2-methylpropyl carbonate Traditional Name: carbonic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-17-carbethoxyoxy-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: C29H42O9 MolecularWeight: 534.63838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)COC(=O)OCC(C)C

Isomeric SMILES

CCOC(=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(C)C

InChI

InChI=1S/C29H42O9/c1-6-35-26(34)38-29(23(32)16-37-25(33)36-15-17(2)3)12-10-21-20-8-7-18-13-19(30)9-11-27(18,4)24(20)22(31)14-28(21,29)5/h13,17,20-22,24,31H,6-12,14-16H2,1-5H3/t20-,21-,22-,24+,27-,28-,29-/m0/s1