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9,12,15-Octadecatrienoic acid, 2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester, (Z,Z,Z)-
SpectraBase Compound ID 32ImchEo47C
InChI InChI=1S/C25H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-24(20-29-22(2)26)21-30-23(3)27/h5-6,8-9,11-12,24H,4,7,10,13-21H2,1-3H3/b6-5-,9-8-,12-11-
InChIKey KCUFGMLEGCVQBD-AGRJPVHOSA-N
Mol Weight 436.6 g/mol
Molecular Formula C25H40O6
Exact Mass 436.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eeb5Xwr83BP
Name 9,12,15-Octadecatrienoic acid, 2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester, (Z,Z,Z)-
Alternate Name(s) 2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl (9E,12E,15E)-9,12,15-octadecatrienoate (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid 1,3-diacetyloxypropan-2-yl ester 1,3-Diacetyloxypropan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate [2-acetoxy-1-(acetoxymethyl)ethyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CAS Registry Number 55320-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O6
InChI InChI=1S/C25H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-24(20-29-22(2)26)21-30-23(3)27/h5-6,8-9,11-12,24H,4,7,10,13-21H2,1-3H3/b6-5-,9-8-,12-11-
InChIKey KCUFGMLEGCVQBD-AGRJPVHOSA-N
Molecular Weight 436.589 g/mol
SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(COC(C)=O)COC(C)=O
SPLASH splash10-0006-9200000000-6fba979e30a136133bef
Source of Spectrum AA-0-2209-2
Wiley ID 59837