[(1S)-1-[(1S,3aS,4E,7aS)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethyl] 4-methyl-4-oxidanyl-3-oxidanylidene-pentanoate

Systemtic Name: [(1S)-1-[(1S,3aS,4E,7aS)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethyl] 4-methyl-4-oxidanyl-3-oxidanylidene-pentanoate Openeye Name: [(1S)-1-[(1S,3aS,4E,7aS)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethyl] 4-hydroxy-4-methyl-3-oxo-pentanoate CAS Name: 4-hydroxy-4-methyl-3-oxopentanoic acid [(1S)-1-[(1S,3aS,4E,7aS)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethyl] ester IUPAC Name: [(1S)-1-[(1S,3aS,4E,7aS)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethyl] 4-hydroxy-4-methyl-3-oxopentanoate Traditional Name: 4-hydroxy-3-keto-4-methyl-valeric acid [(1S)-1-[(1S,3aS,4E,7aS)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethyl] ester Formula: C27H40O6 MolecularWeight: 460.6029

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OC(=O)CC(=O)C(C)(C)O

Isomeric SMILES

C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OC(=O)CC(=O)C(C)(C)O

InChI

InChI=1S/C27H40O6/c1-16-19(13-20(28)14-23(16)29)9-8-18-7-6-12-27(5)21(10-11-22(18)27)17(2)33-25(31)15-24(30)26(3,4)32/h8-9,17,20-23,28-29,32H,1,6-7,10-15H2,2-5H3/b18-8+,19-9-/t17-,20+,21+,22-,23-,27+/m0/s1