[(3S,10R,13R,14R)-17-[(2S)-heptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,10R,13R,14R)-17-[(2S)-heptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,10R,13R,14R)-4,4,10,13,14-pentamethyl-17-[(1S)-1-methylhexyl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,10R,13R,14R)-17-[(2S)-heptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,10R,13R,14R)-17-[(2S)-heptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,10R,13R,14R)-4,4,10,13,14-pentamethyl-17-[(1S)-1-methylhexyl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C31H52O2 MolecularWeight: 456.74338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C

Isomeric SMILES

CCCCC[C@H](C)C1CC[C@@]2([C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C

InChI

InChI=1S/C31H52O2/c1-9-10-11-12-21(2)23-15-19-31(8)25-13-14-26-28(4,5)27(33-22(3)32)17-18-29(26,6)24(25)16-20-30(23,31)7/h13,21,23-24,26-27H,9-12,14-20H2,1-8H3/t21-,23?,24?,26?,27-,29+,30+,31-/m0/s1