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2-{2-[2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphth-2-yl)cyclohexenyl]ethenyl}cyclopenten-1-carboxylic acid
SpectraBase Compound ID AZjQ2VO7xSA
InChI InChI=1S/C29H38O2/c1-19-17-25-26(29(4,5)16-15-28(25,2)3)18-24(19)22-11-7-6-9-20(22)13-14-21-10-8-12-23(21)27(30)31/h13-14,17-18H,6-12,15-16H2,1-5H3,(H,30,31)/b14-13+
InChIKey XPEALHNZECBMEL-BUHFOSPRSA-N
Mol Weight 418.6 g/mol
Molecular Formula C29H38O2
Exact Mass 418.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhhI42Sg9q5
Name 2-{2-[2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphth-2-yl)cyclohexenyl]ethenyl}cyclopenten-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38O2
InChI InChI=1S/C29H38O2/c1-19-17-25-26(29(4,5)16-15-28(25,2)3)18-24(19)22-11-7-6-9-20(22)13-14-21-10-8-12-23(21)27(30)31/h13-14,17-18H,6-12,15-16H2,1-5H3,(H,30,31)/b14-13+
InChIKey XPEALHNZECBMEL-BUHFOSPRSA-N
Literature Reference DOI 10.1002/cjoc.20000180115
Molecular Weight 418.621 g/mol
SMILES OC(C=1CCCC1\C=C\C1=C(c2cc3c(C(CCC3(C)C)(C)C)cc2C)CCCC1)=O
SPLASH splash10-02u9-4945300000-297b751dc984ced9703e
Source of Spectrum CJC-18-83-1
Synonyms 2-[[2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-napthalenyl)-1-cyclohexenyl]-1-ethenyl]cyclopentenyl-carboxylicacid 2-{(E)-2-[2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-1-cyclohexen-1-yl]ethenyl}-1-cyclopentene-1-carboxylic acid (E)-2-(2-(2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohex-1-en-1-yl)vinyl)cyclopent-1-enecarboxylic acid
Wiley ID 1773465