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

Systemtic Name: [(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-methanoyloxy-10,13-dimethyl-17-[(2R)-5-oxidanylpentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] methanoate Openeye Name: [(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-formyloxy-17-[(1R)-4-hydroxy-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate CAS Name: formic acid [(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-formyloxy-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-formyloxy-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate Traditional Name: formic acid [(3R,5S,7R,8R,9S,10S,13R,14S,17R)-7-formyloxy-17-[(1R)-4-hydroxy-1-methyl-butyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C26H42O5 MolecularWeight: 434.60868

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCO)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)OC=O)C)OC=O)C

Isomeric SMILES

C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OC=O)C)OC=O)C

InChI

InChI=1S/C26H42O5/c1-17(5-4-12-27)20-6-7-21-24-22(9-11-26(20,21)3)25(2)10-8-19(30-15-28)13-18(25)14-23(24)31-16-29/h15-24,27H,4-14H2,1-3H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26-/m1/s1