(3S,4S,5S)-3-(hydroxymethyl)-5-methyl-4-oxidanyl-5-[(E)-pentadec-11-enyl]oxolan-2-one

Systemtic Name: (3S,4S,5S)-3-(hydroxymethyl)-5-methyl-4-oxidanyl-5-[(E)-pentadec-11-enyl]oxolan-2-one Openeye Name: (3S,4S,5S)-4-hydroxy-3-(hydroxymethyl)-5-methyl-5-[(E)-pentadec-11-enyl]tetrahydrofuran-2-one CAS Name: (3S,4S,5S)-4-hydroxy-3-(hydroxymethyl)-5-methyl-5-[(E)-pentadec-11-enyl]-2-oxolanone IUPAC Name: (3S,4S,5S)-4-hydroxy-3-(hydroxymethyl)-5-methyl-5-[(E)-pentadec-11-enyl]oxolan-2-one Traditional Name: (3S,4S,5S)-4-hydroxy-5-methyl-3-methylol-5-[(E)-pentadec-11-enyl]tetrahydrofuran-2-one Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCCCCCCCCCCC1(C(C(C(=O)O1)CO)O)C

Isomeric SMILES

CCC/C=C/CCCCCCCCCC[C@]1([C@H]([C@@H](C(=O)O1)CO)O)C

InChI

InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(2)19(23)18(17-22)20(24)25-21/h5-6,18-19,22-23H,3-4,7-17H2,1-2H3/b6-5+/t18-,19-,21-/m0/s1