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5,9-Octacosadienoic acid, 22-methyl-, methyl ester, [S-(Z,Z)]-
SpectraBase Compound ID BzEVbV8QJSV
InChI InChI=1S/C30H56O2/c1-4-5-6-23-26-29(2)27-24-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-25-28-30(31)32-3/h10,12,18,20,29H,4-9,11,13-17,19,21-28H2,1-3H3/b12-10-,20-18-/t29-/m0/s1
InChIKey BUYVBILLMDVFAY-YJNMVWDFSA-N
Mol Weight 448.8 g/mol
Molecular Formula C30H56O2
Exact Mass 448.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzjO6S7JYxW
Name 5,9-Octacosadienoic acid, 22-methyl-, methyl ester, [S-(Z,Z)]-
CAS Registry Number 108560-89-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H56O2
InChI InChI=1S/C30H56O2/c1-4-5-6-23-26-29(2)27-24-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-25-28-30(31)32-3/h10,12,18,20,29H,4-9,11,13-17,19,21-28H2,1-3H3/b12-10-,20-18-/t29-/m0/s1
InChIKey BUYVBILLMDVFAY-YJNMVWDFSA-N
Molecular Weight 448.776 g/mol
SMILES C(=O)(OC)CCC\C=C/CC\C=C/CCCCCCCCCCC[C@](CCCCCC)(C)[H]
SPLASH splash10-0api-9400000000-029d389a460fc079916b
Source of Spectrum J-52-2346-41
Synonyms (22S)-methyl 22-methyl-5(Z),9(Z)-octacosadienoate Methyl (5Z,9Z,22S)-22-methyl-5,9-octacosadienoate
Wiley ID 1387370