[(2S,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bR)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxidanylidene-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-2-yl]methyl ethanoate

Systemtic Name: [(2S,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bR)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxidanylidene-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-2-yl]methyl ethanoate Openeye Name: [(2S,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bR)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-2-yl]methyl acetate CAS Name: acetic acid [(2S,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bR)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-2-yl]methyl ester IUPAC Name: [(2S,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bR)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-2-yl]methyl acetate Traditional Name: acetic acid [(2S,4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bR)-10-keto-2,4a,6a,6a,8a,9,14a-heptamethyl-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picen-2-yl]methyl ester Formula: C32H52O3 MolecularWeight: 484.75348

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)COC(=O)C)C)C)C)C)C

Isomeric SMILES

C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)COC(=O)C)C)C)C)C)C

InChI

InChI=1S/C32H52O3/c1-21-23(34)9-10-24-29(21,5)12-11-25-30(24,6)16-18-32(8)26-19-27(3,20-35-22(2)33)13-14-28(26,4)15-17-31(25,32)7/h21,24-26H,9-20H2,1-8H3/t21-,24+,25-,26+,27-,28+,29+,30-,31+,32-/m0/s1