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8(R)-,9Z,12Z-8-Hydroxyoctadeca-9,12-dien-5(S)-olide (PsiA.alpha.)
SpectraBase Compound ID HYoKoODrruO
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17-12-10-13-18(20)21-17/h6-7,9,11,16-17,19H,2-5,8,10,12-15H2,1H3/b7-6-,11-9-/t16-,17-/m0/s1
InChIKey VLPHJTSSBQZBFD-JFKQHRMJSA-N
Mol Weight 294.43 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgV0SZ11Spv
Name 8(R)-,9Z,12Z-8-Hydroxyoctadeca-9,12-dien-5(S)-olide (PsiA.alpha.)
Alternate Name(s) (6S)-6-[(3R,4E,7E)-3-hydroxy-4,7-tridecadienyl]tetrahydro-2H-pyran-2-one (6S)-6-[(3R,4Z,7Z)-3-hydroxytrideca-4,7-dienyl]-2-oxanone (6S)-6-[(3R,4Z,7Z)-3-hydroxytrideca-4,7-dienyl]oxan-2-one (6S)-6-[(3R,4Z,7Z)-3-oxidanyltrideca-4,7-dienyl]oxan-2-one
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Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17-12-10-13-18(20)21-17/h6-7,9,11,16-17,19H,2-5,8,10,12-15H2,1H3/b7-6-,11-9-/t16-,17-/m0/s1
InChIKey VLPHJTSSBQZBFD-JFKQHRMJSA-N
Molecular Weight 294.435 g/mol
SMILES O[C@@](\C=C/C\C=C/CCCCC)(CC[C@]1(OC(=O)CCC1)[H])[H]
SPLASH splash10-03di-0920000000-e3e5a7cfc9b86c764d91
Source of Spectrum AT-31-3840-1
Wiley ID 835802