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

Systemtic Name: [(5R,8R,9S,10S,12R,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] butanoate Openeye Name: [(5R,8R,9S,10S,12R,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] butanoate CAS Name: butanoic acid [(5R,8R,9S,10S,12R,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] ester IUPAC Name: [(5R,8R,9S,10S,12R,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] butanoate Traditional Name: butyric acid [(5R,8R,9S,10S,12R,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] ester Formula: C25H42O2 MolecularWeight: 374.59978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CC2C(CCC3C2(CCCC3)C)C4C1(C(CC4)CC)C

Isomeric SMILES

CCCC(=O)O[C@@H]1C[C@H]2[C@@H](CC[C@@H]3[C@@]2(CCCC3)C)[C@H]4[C@]1([C@H](CC4)CC)C

InChI

InChI=1S/C25H42O2/c1-5-9-23(26)27-22-16-21-19(20-14-12-17(6-2)25(20,22)4)13-11-18-10-7-8-15-24(18,21)3/h17-22H,5-16H2,1-4H3/t17-,18+,19-,20-,21-,22+,24-,25+/m0/s1