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1qZQVolvge
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1qZQVolvge
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1,5,9-Cyclotetradecatriene-1-carboxylic acid, 5,9-dimethyl-12-(5-methyl-1-methylene-4-hexenyl)-, methyl ester, [R-(E,E,Z)]-
SpectraBase Compound ID LCSHFdhAsvW
InChI InChI=1S/C26H40O2/c1-20(2)10-7-14-23(5)24-17-16-22(4)12-8-11-21(3)13-9-15-25(19-18-24)26(27)28-6/h10-11,15-16,24H,5,7-9,12-14,17-19H2,1-4,6H3/b21-11-,22-16-,25-15+/t24-/m0/s1
InChIKey KCRZTXLUSQNUBI-CXXUIYLBSA-N
Mol Weight 384.6 g/mol
Molecular Formula C26H40O2
Exact Mass 384.302831 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1qZQVolvge
Name 1,5,9-Cyclotetradecatriene-1-carboxylic acid, 5,9-dimethyl-12-(5-methyl-1-methylene-4-hexenyl)-, methyl ester, [R-(E,E,Z)]-
CAS Registry Number 78161-12-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O2
InChI InChI=1S/C26H40O2/c1-20(2)10-7-14-23(5)24-17-16-22(4)12-8-11-21(3)13-9-15-25(19-18-24)26(27)28-6/h10-11,15-16,24H,5,7-9,12-14,17-19H2,1-4,6H3/b21-11-,22-16-,25-15+/t24-/m0/s1
InChIKey KCRZTXLUSQNUBI-CXXUIYLBSA-N
Molecular Weight 384.604 g/mol
SMILES C(\C=1CC[C@@](C(=C)CCC=C(C)C)(C\C=C\(C)CC\C=C/(CCC\1)C)[H])(=O)OC
SPLASH splash10-015c-9002000000-1f449c370b44c71c0908
Source of Spectrum F-36-3486-0
Synonyms Methyl (12R)-5,9-dimethyl-12-(5-methyl-1-methylene-4-hexenyl)-1,5,9-cyclotetradecatriene-1-carboxylate Methyl ester of[r-(E,E,z)]-5,9-dimethyl-12-(5-methyl-1-methylene-4-hexenyl)-1,5,9-cyclotetradecatriene-1-carboxylic acid
Wiley ID 1361891
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