(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-carboxylic acid

Systemtic Name: (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-carboxylic acid Openeye Name: (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-carboxylic acid 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 IUPAC 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 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 Formula: C32H46O5 MolecularWeight: 510.70464

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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)O)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)O)C)(C)C

InChI

InChI=1S/C32H46O5/c1-19(33)37-24-10-11-27(2,3)23-9-12-31(7)25(32(23,24)8)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-30(20,31)6/h10-11,17,21,23-25H,9,12-16,18H2,1-8H3,(H,35,36)/t21?,23?,24-,25?,28+,29-,30+,31+,32+/m0/s1