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

Systemtic Name: [(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanylidene-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picen-4a-yl]methyl ethanoate Openeye Name: [(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picen-4a-yl]methyl acetate CAS Name: acetic acid [(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picen-4a-yl]methyl ester IUPAC Name: [(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picen-4a-yl]methyl acetate Traditional Name: acetic acid [(4aS,6aR,6aS,6bR,8aR,12aR,14bS)-10-keto-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picen-4a-yl]methyl ester Formula: C32H50O3 MolecularWeight: 482.7376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12CCC(CC1C3=CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)(C)C

Isomeric SMILES

CC(=O)OC[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]1CC(CC2)(C)C)C

InChI

InChI=1S/C32H50O3/c1-21(33)35-20-32-17-15-27(2,3)19-23(32)22-9-10-25-29(6)13-12-26(34)28(4,5)24(29)11-14-31(25,8)30(22,7)16-18-32/h9,23-25H,10-20H2,1-8H3/t23-,24-,25+,29-,30+,31+,32+/m0/s1