[(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethanoyl-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] hexanoate

Systemtic Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethanoyl-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] hexanoate Openeye Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetoxy-17-acetyl-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] hexanoate CAS Name: hexanoic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] hexanoate Traditional Name: hexanoic acid [(3S,8R,9S,10R,13S,14S,17R)-17-acetoxy-17-acetyl-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C29H42O5 MolecularWeight: 470.64078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1CCC2(C3CCC4(C(C3C=CC2=C1)CCC4(C(=O)C)OC(=O)C)C)C

Isomeric SMILES

CCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C=CC2=C1)CC[C@@]4(C(=O)C)OC(=O)C)C)C

InChI

InChI=1S/C29H42O5/c1-6-7-8-9-26(32)33-22-12-15-27(4)21(18-22)10-11-23-24(27)13-16-28(5)25(23)14-17-29(28,19(2)30)34-20(3)31/h10-11,18,22-25H,6-9,12-17H2,1-5H3/t22-,23+,24-,25-,27-,28-,29-/m0/s1