methyl (2S,4aS,6aS,6bR,12S,12aS)-12-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-2-carboxylate

Systemtic Name: methyl (2S,4aS,6aS,6bR,12S,12aS)-12-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-2-carboxylate Openeye Name: methyl (2S,4aS,6aS,6bR,12S,12aS)-12-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-2-carboxylate CAS Name: (2S,4aS,6aS,6bR,12S,12aS)-12-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,4aS,6aS,6bR,12S,12aS)-12-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-2-carboxylate Traditional Name: (2S,4aS,6aS,6bR,12S,12aS)-12-acetoxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,12,14b-decahydro-1H-picene-2-carboxylic acid methyl ester Formula: C33H48O5 MolecularWeight: 524.73122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=CC(C2C1(C3C(=O)C=C4C5CC(CCC5(CCC4(C3(CC2)C)C)C)(C)C(=O)OC)C)(C)C

Isomeric SMILES

CC(=O)O[C@H]1C=CC(C2[C@]1(C3C(=O)C=C4C5C[C@@](CC[C@@]5(CC[C@]4([C@@]3(CC2)C)C)C)(C)C(=O)OC)C)(C)C

InChI

InChI=1S/C33H48O5/c1-20(34)38-25-11-12-28(2,3)24-10-13-32(7)26(33(24,25)8)23(35)18-21-22-19-30(5,27(36)37-9)15-14-29(22,4)16-17-31(21,32)6/h11-12,18,22,24-26H,10,13-17,19H2,1-9H3/t22?,24?,25-,26?,29+,30-,31+,32+,33+/m0/s1