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(1R,6R,9S)-6-Hydroxycaryophyllenyl (S)-6-hydroxystearate

View entire compound with spectra: 1 MS (GC)

(1R,6R,9S)-6-Hydroxycaryophyllenyl (S)-6-hydroxystearate
SpectraBase Compound ID 17HCRfEoap4
InChI InChI=1S/C33H58O3/c1-6-7-8-9-10-11-12-13-14-15-18-28(34)19-16-17-20-32(35)36-29-23-26(2)21-22-31-30(27(3)24-29)25-33(31,4)5/h23,28-31,34H,3,6-22,24-25H2,1-2,4-5H3/b26-23+/t28-,29-,30+,31+/m0/s1
InChIKey JNFCABWMLDVFRS-IKVVUUIKSA-N
Mol Weight 502.8 g/mol
Molecular Formula C33H58O3
Exact Mass 502.438596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLuTRD29nCf
Name (1R,6R,9S)-6-Hydroxycaryophyllenyl (S)-6-hydroxystearate
Alternate Name(s) 6-Hydroxyoctadecanoic acid [(1R,4E,6R,9S)-4,11,11-trimethyl-8-methylene-6-bicyclo[7.2.0]undec-4-enyl] ester [(1R,4E,6R,9S)-4,11,11-trimethyl-8-methylidene-6-bicyclo[7.2.0]undec-4-enyl] 6-hydroxyoctadecanoate [(1R,4E,6R,9S)-4,11,11-trimethyl-8-methylene-6-bicyclo[7.2.0]undec-4-enyl] 6-hydroxyoctadecanoate [(1R,4E,6R,9S)-4,11,11-trimethyl-8-methylidene-6-bicyclo[7.2.0]undec-4-enyl] 6-oxidanyloctadecanoate
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Formula C33H58O3
InChI InChI=1S/C33H58O3/c1-6-7-8-9-10-11-12-13-14-15-18-28(34)19-16-17-20-32(35)36-29-23-26(2)21-22-31-30(27(3)24-29)25-33(31,4)5/h23,28-31,34H,3,6-22,24-25H2,1-2,4-5H3/b26-23+/t28-,29-,30+,31+/m0/s1
InChIKey JNFCABWMLDVFRS-IKVVUUIKSA-N
Molecular Weight 502.824 g/mol
SMILES O[C@](CCCCC(O[C@@]1(CC([C@@]2([C@](CC\C(C)=C\1)([H])C(C2)(C)C)[H])=C)[H])=O)(CCCCCCCCCCCC)[H]
SPLASH splash10-0fsi-5390000000-a194c651da5c05d74be1
Source of Spectrum U1-1999-2064-2a
Wiley ID 814954