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(1S,5S)-3-tert-Butyl-5-methoxy-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-2-en-(Z)-ylidene]-cyclopent-2-enol

View entire compound with spectra: 1 MS (GC)

(1S,5S)-3-tert-Butyl-5-methoxy-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-2-en-(Z)-ylidene]-cyclopent-2-enol
SpectraBase Compound ID TLUmwS69eV
InChI InChI=1S/C25H40O2/c1-16(12-13-20-17(2)11-10-14-25(20,7)8)15-19-21(24(4,5)6)18(3)22(26)23(19)27-9/h12,15,22-23,26H,10-11,13-14H2,1-9H3/b16-12+,19-15-/t22-,23-/m0/s1
InChIKey TVABLCOWVRLDQU-OPQWUYRZSA-N
Mol Weight 372.6 g/mol
Molecular Formula C25H40O2
Exact Mass 372.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5ETEHL0u15
Name (1S,5S)-3-tert-Butyl-5-methoxy-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-2-en-(Z)-ylidene]-cyclopent-2-enol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O2
InChI InChI=1S/C25H40O2/c1-16(12-13-20-17(2)11-10-14-25(20,7)8)15-19-21(24(4,5)6)18(3)22(26)23(19)27-9/h12,15,22-23,26H,10-11,13-14H2,1-9H3/b16-12+,19-15-/t22-,23-/m0/s1
InChIKey TVABLCOWVRLDQU-OPQWUYRZSA-N
Molecular Weight 372.593 g/mol
SMILES O[C@@]1([C@](\C(C(=C1C)C(C)(C)C)=C/C(=C/CC1=C(CCCC1(C)C)C)C)(OC)[H])[H]
SPLASH splash10-05fs-2922000000-d39afb611d98b97e47dc
Source of Spectrum QE-6-4031-30
Synonyms (1S,4Z,5S)-3-tert-butyl-5-methoxy-2-methyl-4-[(2E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenylidene]-2-cyclopenten-1-ol (4Z)-3-tert-Butyl-5-methoxy-2-methyl-4-[(2E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-2-enyliden]cyclopent-2-en-1-ol
Wiley ID 845174