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(1.alpha.,4.beta.,6.alpha.,7.alpha.)-7-(3-Methyl-3-butenyl)-4-((E)-6-methyl-2,6-heptadienyl)-1-methylbicyclo[4.1.0]hept-3-one

View entire compound with spectra: 1 MS (GC)

(1.alpha.,4.beta.,6.alpha.,7.alpha.)-7-(3-Methyl-3-butenyl)-4-((E)-6-methyl-2,6-heptadienyl)-1-methylbicyclo[4.1.0]hept-3-one
SpectraBase Compound ID 569XOPNEq73
InChI InChI=1S/C21H32O/c1-15(2)9-7-6-8-10-17-13-19-18(12-11-16(3)4)21(19,5)14-20(17)22/h6,8,17-19H,1,3,7,9-14H2,2,4-5H3/b8-6+/t17-,18-,19-,21+/m0/s1
InChIKey WJGBFMNKGUYJDS-XJRHZBDXSA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DT9UiUJ7rii
Name (1.alpha.,4.beta.,6.alpha.,7.alpha.)-7-(3-Methyl-3-butenyl)-4-((E)-6-methyl-2,6-heptadienyl)-1-methylbicyclo[4.1.0]hept-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O
InChI InChI=1S/C21H32O/c1-15(2)9-7-6-8-10-17-13-19-18(12-11-16(3)4)21(19,5)14-20(17)22/h6,8,17-19H,1,3,7,9-14H2,2,4-5H3/b8-6+/t17-,18-,19-,21+/m0/s1
InChIKey WJGBFMNKGUYJDS-XJRHZBDXSA-N
Molecular Weight 300.486 g/mol
SMILES [C@@]12([C@](C[C@@](C(C2)=O)(C\C=C\CCC(=C)C)[H])([H])[C@@]1(CCC(=C)C)[H])C
SPLASH splash10-0a4i-0900000000-7ef7809c8ab8de0e2215
Source of Spectrum J-60-4195-43
Synonyms (1S,4R,6R,7R)-1-methyl-7-(3-methyl-3-butenyl)-4-[(2E)-6-methyl-2,6-heptadienyl]bicyclo[4.1.0]heptan-3-one (1S,3S,6R,7S)-6-methyl-7-(3-methylbut-3-enyl)-3-[(2E)-6-methylhepta-2,6-dienyl]-4-bicyclo[4.1.0]heptanone (1S,3S,6R,7S)-6-methyl-7-(3-methylbut-3-enyl)-3-[(2E)-6-methylhepta-2,6-dienyl]bicyclo[4.1.0]heptan-4-one
Wiley ID 1303488