[(3S,5R,10S,12R,13S,14S,17R)-12-methanoyloxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] methanoate

Systemtic Name: [(3S,5R,10S,12R,13S,14S,17R)-12-methanoyloxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] methanoate Openeye Name: [(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate CAS Name: formic acid [(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate Traditional Name: formic acid [(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C25H34O7 MolecularWeight: 446.53326

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)OC=O)OC=O

Isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CCC3C2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC=O)OC=O

InChI

InChI=1S/C25H34O7/c1-23-7-5-17(31-13-26)10-16(23)3-4-19-20(23)11-21(32-14-27)24(2)18(6-8-25(19,24)29)15-9-22(28)30-12-15/h9,13-14,16-21,29H,3-8,10-12H2,1-2H3/t16-,17+,18-,19?,20?,21-,23+,24+,25+/m1/s1