[(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] tetradecanoate

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] tetradecanoate 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] tetradecanoate CAS Name: tetradecanoic 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] tetradecanoate Traditional Name: myristic 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: C35H60O3 MolecularWeight: 528.8491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H60O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-33(37)38-28-21-23-34(3)27(25-28)17-18-29-31-20-19-30(26(2)36)35(31,4)24-22-32(29)34/h27-32H,5-25H2,1-4H3/t27-,28+,29?,30+,31?,32?,34-,35+/m0/s1