[(1S,3S,7S,8S,8aR)-8-(hydroxymethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

Systemtic Name: [(1S,3S,7S,8S,8aR)-8-(hydroxymethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate Openeye Name: [(1S,3S,7S,8S,8aR)-8-(hydroxymethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate CAS Name: (2S)-2-methylbutanoic acid [(1S,3S,7S,8S,8aR)-8-(hydroxymethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: [(1S,3S,7S,8S,8aR)-8-(hydroxymethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate Traditional Name: (2S)-2-methylbutyric acid [(1S,3S,7S,8S,8aR)-3,7-dimethyl-8-methylol-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CO)C

Isomeric SMILES

CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CO)C

InChI

InChI=1S/C18H28O3/c1-5-12(3)18(20)21-16-9-11(2)8-14-7-6-13(4)15(10-19)17(14)16/h6-8,11-13,15-17,19H,5,9-10H2,1-4H3/t11-,12+,13+,15+,16+,17+/m1/s1