[(1S,3R,7S,8S,8aR)-3,7,8a-trimethyl-8-[2-[(2R,4R)-4-methyl-6-oxidanylidene-oxan-2-yl]ethyl]-2,3,7,8-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate

Systemtic Name: [(1S,3R,7S,8S,8aR)-3,7,8a-trimethyl-8-[2-[(2R,4R)-4-methyl-6-oxidanylidene-oxan-2-yl]ethyl]-2,3,7,8-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate Openeye Name: [(1S,3R,7S,8S,8aR)-3,7,8a-trimethyl-8-[2-[(2R,4R)-4-methyl-6-oxo-tetrahydropyran-2-yl]ethyl]-2,3,7,8-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [(1S,3R,7S,8S,8aR)-3,7,8a-trimethyl-8-[2-[(2R,4R)-4-methyl-6-oxo-2-oxanyl]ethyl]-2,3,7,8-tetrahydro-1H-naphthalen-1-yl] ester IUPAC Name: [(1S,3R,7S,8S,8aR)-3,7,8a-trimethyl-8-[2-[(2R,4R)-4-methyl-6-oxooxan-2-yl]ethyl]-2,3,7,8-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-6-keto-4-methyl-tetrahydropyran-2-yl]ethyl]-3,7,8a-trimethyl-2,3,7,8-tetrahydro-1H-naphthalen-1-yl] ester Formula: C27H42O4 MolecularWeight: 430.61998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1CC(C=C2C1(C(C(C=C2)C)CCC3CC(CC(=O)O3)C)C)C

Isomeric SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@]1([C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)C)C)C

InChI

InChI=1S/C27H42O4/c1-8-26(5,6)25(29)31-23-15-17(2)13-20-10-9-19(4)22(27(20,23)7)12-11-21-14-18(3)16-24(28)30-21/h9-10,13,17-19,21-23H,8,11-12,14-16H2,1-7H3/t17-,18+,19-,21+,22-,23-,27-/m0/s1