[(3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-oxidanyl-5-oxidanylidene-dec-1-en-3-yl] propanoate

Systemtic Name: [(3R,4R,6S,7S)-2,4,6-trimethyl-8-methylidene-7-oxidanyl-5-oxidanylidene-dec-1-en-3-yl] propanoate Openeye Name: [(1R,2R,4S,5S)-5-hydroxy-1-isopropenyl-2,4-dimethyl-6-methylene-3-oxo-octyl] propanoate CAS Name: propanoic acid [(3R,4R,6S,7S)-7-hydroxy-2,4,6-trimethyl-8-methylene-5-oxodec-1-en-3-yl] ester IUPAC Name: [(3R,4R,6S,7S)-7-hydroxy-2,4,6-trimethyl-8-methylidene-5-oxodec-1-en-3-yl] propanoate Traditional Name: propionic acid [(1R,2R,4S,5S)-6-ethyl-5-hydroxy-1-isopropenyl-3-keto-2,4-dimethyl-hept-6-enyl] ester Formula: C17H28O4 MolecularWeight: 296.40182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(C(C)C(=O)C(C)C(C(=C)C)OC(=O)CC)O

Isomeric SMILES

CCC(=C)[C@H]([C@H](C)C(=O)[C@H](C)[C@H](C(=C)C)OC(=O)CC)O

InChI

InChI=1S/C17H28O4/c1-8-11(5)15(19)12(6)16(20)13(7)17(10(3)4)21-14(18)9-2/h12-13,15,17,19H,3,5,8-9H2,1-2,4,6-7H3/t12-,13-,15+,17-/m0/s1