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

Systemtic Name: [(1S,3R,3aS,4R,5S,6aS)-4-butyl-3-(hydroxymethyl)-6-oxidanylidene-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ethanoate Openeye Name: [(1S,3R,3aS,4R,5S,6aS)-4-butyl-3-(hydroxymethyl)-6-oxo-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl acetate CAS Name: acetic acid [(1S,3R,3aS,4R,5S,6aS)-4-butyl-3-(hydroxymethyl)-6-oxo-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester IUPAC Name: [(1S,3R,3aS,4R,5S,6aS)-4-butyl-3-(hydroxymethyl)-6-oxo-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl acetate Traditional Name: acetic acid [(1S,3R,3aS,4R,5S,6aS)-4-butyl-6-keto-3-methylol-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester Formula: C19H32O4 MolecularWeight: 324.45498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(=O)C2C1C(CC2COC(=O)C)CO)CCC

Isomeric SMILES

CCCC[C@H]1[C@@H](C(=O)[C@H]2[C@@H]1[C@@H](C[C@@H]2COC(=O)C)CO)CCC

InChI

InChI=1S/C19H32O4/c1-4-6-8-15-16(7-5-2)19(22)18-14(11-23-12(3)21)9-13(10-20)17(15)18/h13-18,20H,4-11H2,1-3H3/t13-,14+,15-,16-,17+,18+/m0/s1