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

Systemtic Name: [(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[2-(2-methylpropoxycarbonyloxy)ethanoyl]-11-oxidanyl-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propyl carbonate Openeye Name: [2-[(8S,9S,10R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-propoxycarbonyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] isobutyl carbonate CAS Name: carbonic acid [(8S,9S,10R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-[2-[2-methylpropoxy(oxo)methoxy]-1-oxoethyl]-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propyl ester IUPAC Name: [(8S,9S,10R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-[2-(2-methylpropoxycarbonyloxy)acetyl]-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propyl carbonate Traditional Name: carbonic acid [(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-(2-isobutoxycarbonyloxyacetyl)-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propyl ester Formula: C30H42O9 MolecularWeight: 546.64908

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)OCC(C)C

Isomeric SMILES

CCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)COC(=O)OCC(C)C

InChI

InChI=1S/C30H42O9/c1-6-13-36-27(35)39-30(24(33)17-38-26(34)37-16-18(2)3)12-10-22-21-8-7-19-14-20(31)9-11-28(19,4)25(21)23(32)15-29(22,30)5/h9,11,14,18,21-23,25,32H,6-8,10,12-13,15-17H2,1-5H3/t21-,22-,23?,25+,28-,29-,30-/m0/s1