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2-Cyclohexene-1-carboxylic acid, 2-(7-hydroxy-3-methyl-1,3-octadienyl)-1,3-dimethyl-4-oxo-, methyl ester, [R-[R*,S*-(E,E)]]-

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2-Cyclohexene-1-carboxylic acid, 2-(7-hydroxy-3-methyl-1,3-octadienyl)-1,3-dimethyl-4-oxo-, methyl ester, [R-[R*,S*-(E,E)]]-
SpectraBase Compound ID 5dtCYJib7zh
InChI InChI=1S/C19H28O4/c1-13(7-6-8-14(2)20)9-10-16-15(3)17(21)11-12-19(16,4)18(22)23-5/h7,9-10,14,20H,6,8,11-12H2,1-5H3/b10-9+,13-7+
InChIKey KVBYPCQTYBIUJI-GSSAJISUSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4Z5IaZd0gh
Name 2-Cyclohexene-1-carboxylic acid, 2-(7-hydroxy-3-methyl-1,3-octadienyl)-1,3-dimethyl-4-oxo-, methyl ester, [R-[R*,S*-(E,E)]]-
CAS Registry Number 26055-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-13(7-6-8-14(2)20)9-10-16-15(3)17(21)11-12-19(16,4)18(22)23-5/h7,9-10,14,20H,6,8,11-12H2,1-5H3/b10-9+,13-7+
InChIKey KVBYPCQTYBIUJI-GSSAJISUSA-N
Molecular Weight 320.429 g/mol
SMILES OC(CC\C=C\(\C=C\C1=C(C(CCC1(C(OC)=O)C)=O)C)C)C
SPLASH splash10-0006-9710000000-63b77ef5670437375cb1
Source of Spectrum AD-0-1040-0
Synonyms Methyl 2-[(1E,3E)-7-hydroxy-3-methyl-1,3-octadienyl]-1,3-dimethyl-4-oxo-2-cyclohexene-1-carboxylate .delta.9-trans-(13R)-Trisporic acid C, methyl ester 2-Cyclohexene-1-carboxylic acid, 2-(7-hydroxy-3-methyl-1,3-octadienyl)-1,3-dimethyl-4-oxo-, methyl ester 2-Cyclohexene-1-carboxylic acid, 2-(7-hydroxy-3-methyl-1,3-octadienyl)-1,3-dimethyl-4-oxo-, methyl ester, (E,E)-(7R)- 2-[(1E,3E)-7-hydroxy-3-methyl-octa-1,3-dienyl]-4-keto-1,3-dimethyl-cyclohex-2-ene-1-carboxylic acid methyl ester 2-[(1E,3E)-7-hydroxy-3-methylocta-1,3-dienyl]-1,3-dimethyl-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester Methyl trisporate C 9-trans-Methyltrisporate C Methyl 1,3-dimethyl-2-[(1E,3E)-3-methyl-7-oxidanyl-octa-1,3-dienyl]-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Methyl 2-[(1E,3E)-7-hydroxy-3-methyl-octa-1,3-dienyl]-1,3-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate Methyl 2-((1E,3E)-7-hydroxy-3-methylocta-1,3-dien-1-yl)-1,3-dimethyl-4-oxocyclohex-2-enecarboxylate Methyl 2-[(1E,3E)-7-hydroxy-3-methylocta-1,3-dienyl]-1,3-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
Wiley ID 47824