[(1R,3S,3aS,5S,6R,6aS)-3-(hydroxymethyl)-6-methyl-4-oxidanylidene-5-pentyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]methyl ethanoate

Systemtic Name: [(1R,3S,3aS,5S,6R,6aS)-3-(hydroxymethyl)-6-methyl-4-oxidanylidene-5-pentyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]methyl ethanoate Openeye Name: [(1R,3S,3aS,5S,6R,6aS)-3-(hydroxymethyl)-6-methyl-4-oxo-5-pentyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]methyl acetate CAS Name: acetic acid [(1R,3S,3aS,5S,6R,6aS)-3-(hydroxymethyl)-6-methyl-4-oxo-5-pentyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]methyl ester IUPAC Name: [(1R,3S,3aS,5S,6R,6aS)-3-(hydroxymethyl)-6-methyl-4-oxo-5-pentyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]methyl acetate Traditional Name: acetic acid [(1R,3S,3aS,5S,6R,6aS)-5-amyl-4-keto-6-methyl-3-methylol-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]methyl ester Formula: C18H30O4 MolecularWeight: 310.4284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C2C(CC(C2C1=O)CO)COC(=O)C)C

Isomeric SMILES

CCCCC[C@H]1[C@@H]([C@H]2[C@@H](C[C@@H]([C@H]2C1=O)CO)COC(=O)C)C

InChI

InChI=1S/C18H30O4/c1-4-5-6-7-15-11(2)16-14(10-22-12(3)20)8-13(9-19)17(16)18(15)21/h11,13-17,19H,4-10H2,1-3H3/t11-,13+,14-,15-,16-,17+/m0/s1