[2-[(8S,9S,10R,11S,13S,14S,17R)-17-butoxycarbonyloxy-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] 2-methylpropyl carbonate

Systemtic Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-17-butoxycarbonyloxy-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] 2-methylpropyl carbonate Openeye Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-17-butoxycarbonyloxy-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-[butoxy(oxo)methoxy]-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-butoxycarbonyloxy-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-butoxycarbonyloxy-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: C31H46O9 MolecularWeight: 562.69154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=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/C31H46O9/c1-6-7-14-37-28(36)40-31(25(34)18-39-27(35)38-17-19(2)3)13-11-23-22-9-8-20-15-21(32)10-12-29(20,4)26(22)24(33)16-30(23,31)5/h15,19,22-24,26,33H,6-14,16-18H2,1-5H3/t22-,23-,24-,26+,29-,30-,31-/m0/s1