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2,4-Heptadienoic acid, 6-(2-hydroxy-4-methyl-3-cyclohexen-1-yl)-2-(4-methyl-3-pentenyl)-, methyl ester, [1R-[1.alpha.(2E,4E,6R*),2.alpha.]]-
SpectraBase Compound ID LelO339oK2p
InChI InChI=1S/C21H32O3/c1-15(2)8-6-10-18(21(23)24-5)11-7-9-17(4)19-13-12-16(3)14-20(19)22/h7-9,11-13,16-17,19-20,22H,6,10,14H2,1-5H3/b9-7+,18-11+
InChIKey XQFUENYTGRLHDZ-BDNABIFJSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CR4W3gfdWVB
Name 2,4-Heptadienoic acid, 6-(2-hydroxy-4-methyl-3-cyclohexen-1-yl)-2-(4-methyl-3-pentenyl)-, methyl ester, [1R-[1.alpha.(2E,4E,6R*),2.alpha.]]-
CAS Registry Number 112239-54-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-15(2)8-6-10-18(21(23)24-5)11-7-9-17(4)19-13-12-16(3)14-20(19)22/h7-9,11-13,16-17,19-20,22H,6,10,14H2,1-5H3/b9-7+,18-11+
InChIKey XQFUENYTGRLHDZ-BDNABIFJSA-N
Molecular Weight 332.484 g/mol
SMILES OC1C(C=CC(C1)C)C(\C=C\C=C\(C(=O)OC)CCC=C(C)C)C
SPLASH splash10-0006-9720000000-b13e43b8430fa56318e5
Source of Spectrum F-43-3006-11
Synonyms Methyl (2Z,4E)-6-(2-hydroxy-4-methyl-3-cyclohexen-1-yl)-2-(4-methyl-3-pentenyl)-2,4-heptadienoate 1-(5'-Methoxycarbonyl-1',9'-dimethyldeca-2',4',8'-trienyl)-6-hydroxy-4-methylcyclohex-2-ene 1-Methyl-3.beta.-hydroxy-4.beta.-(1R,9-dimethyl-5-methoxycarbonyl-deca-2,4,8-trienyl)-cyclohexene Methyl (2E,4E)-6-(6-hydroxy-4-methyl-2-cyclohexen-1-yl)-2-(4-methyl-3-pentenyl)-2,4-heptadienoate
Wiley ID 1329797