methyl (E,6R)-6-acetyloxy-6-[(1S,3R,6R)-3-methyl-2-oxidanylidene-6-prop-1-en-2-yl-cyclohexyl]hex-2-enoate

Systemtic Name: methyl (E,6R)-6-acetyloxy-6-[(1S,3R,6R)-3-methyl-2-oxidanylidene-6-prop-1-en-2-yl-cyclohexyl]hex-2-enoate Openeye Name: methyl (E,6R)-6-acetoxy-6-[(1S,3R,6R)-6-isopropenyl-3-methyl-2-oxo-cyclohexyl]hex-2-enoate CAS Name: (E,6R)-6-acetyloxy-6-[(1S,3R,6R)-3-methyl-6-(1-methylethenyl)-2-oxocyclohexyl]-2-hexenoic acid methyl ester IUPAC Name: methyl (E,6R)-6-acetyloxy-6-[(1S,3R,6R)-3-methyl-2-oxo-6-prop-1-en-2-ylcyclohexyl]hex-2-enoate Traditional Name: (E,6R)-6-acetoxy-6-[(1S,3R,6R)-6-isopropenyl-2-keto-3-methyl-cyclohexyl]hex-2-enoic acid methyl ester Formula: C19H28O5 MolecularWeight: 336.42262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1=O)C(CCC=CC(=O)OC)OC(=O)C)C(=C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@H](C1=O)[C@@H](CC/C=C/C(=O)OC)OC(=O)C)C(=C)C

InChI

InChI=1S/C19H28O5/c1-12(2)15-11-10-13(3)19(22)18(15)16(24-14(4)20)8-6-7-9-17(21)23-5/h7,9,13,15-16,18H,1,6,8,10-11H2,2-5H3/b9-7+/t13-,15+,16-,18+/m1/s1