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

Systemtic Name: [(3R,5S,10S,13S,17S)-17-ethanoyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate Openeye Name: [(3R,5S,10S,13S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate CAS Name: octadecanoic acid [(3R,5S,10S,13S,17S)-17-acetyl-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,10S,13S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate Traditional Name: stearic acid [(3R,5S,10S,13S,17S)-17-acetyl-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: C39H68O3 MolecularWeight: 584.95542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C(=O)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2([C@H](C1)CCC3C2CC[C@]4(C3CC[C@@H]4C(=O)C)C)C

InChI

InChI=1S/C39H68O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37(41)42-32-25-27-38(3)31(29-32)21-22-33-35-24-23-34(30(2)40)39(35,4)28-26-36(33)38/h31-36H,5-29H2,1-4H3/t31-,32+,33?,34+,35?,36?,38-,39+/m0/s1