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1,7,11-Cyclotetradecatriene-1-carboxylic acid, 4-(5-hydroxy-5-methyl-1-methylenehexyl)-7,11-dimethyl-, methyl ester, [R-(Z,Z,E)]-
SpectraBase Compound ID 2gA3ZHOEZbp
InChI InChI=1S/C26H42O3/c1-20-10-7-11-21(2)15-16-23(22(3)13-9-19-26(4,5)28)17-18-24(14-8-12-20)25(27)29-6/h11-12,18,23,28H,3,7-10,13-17,19H2,1-2,4-6H3/b20-12-,21-11-,24-18+/t23-/m1/s1
InChIKey XZCDHJHKPRCMJX-ZLEPHONGSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7xdn03n8jD
Name 1,7,11-Cyclotetradecatriene-1-carboxylic acid, 4-(5-hydroxy-5-methyl-1-methylenehexyl)-7,11-dimethyl-, methyl ester, [R-(Z,Z,E)]-
Alternate Name(s) Methyl (4R)-4-[1-(4-hydroxy-4-methylpentyl)vinyl]-7,11-dimethyl-1,7,11-cyclotetradecatriene-1-carboxylate Methyl ester of 18-dihydro-19-hydroxy-cericeroic acid
CAS Registry Number 78161-11-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-20-10-7-11-21(2)15-16-23(22(3)13-9-19-26(4,5)28)17-18-24(14-8-12-20)25(27)29-6/h11-12,18,23,28H,3,7-10,13-17,19H2,1-2,4-6H3/b20-12-,21-11-,24-18+/t23-/m1/s1
InChIKey XZCDHJHKPRCMJX-ZLEPHONGSA-N
Molecular Weight 402.619 g/mol
SMILES OC(CCCC([C@]1(C\C=C\(C(=O)OC)CC\C=C/(CC\C=C/(CC1)C)C)[H])=C)(C)C
SPLASH splash10-00lu-9003000000-517621f62e43e0b414e0
Source of Spectrum F-36-3486-0
Wiley ID 1370624