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Acetic Acid (+-)-(1.alpha.,3.beta.,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-yl Ester

View entire compound with spectra: 1 MS (GC)

Acetic Acid (+-)-(1.alpha.,3.beta.,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-yl Ester
SpectraBase Compound ID GIXCpO0GcND
InChI InChI=1S/C23H36O2/c1-16(2)10-8-7-9-11-19-14-21-20(13-12-17(3)4)23(21,6)15-22(19)25-18(5)24/h7,9,19-22H,1,3,8,10-15H2,2,4-6H3/b9-7+/t19-,20-,21-,22+,23+/m0/s1
InChIKey MMZXJBFBBYZCTF-OJGATFIESA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JftRHgb3G6U
Name Acetic Acid (+-)-(1.alpha.,3.beta.,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-yl Ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-16(2)10-8-7-9-11-19-14-21-20(13-12-17(3)4)23(21,6)15-22(19)25-18(5)24/h7,9,19-22H,1,3,8,10-15H2,2,4-6H3/b9-7+/t19-,20-,21-,22+,23+/m0/s1
InChIKey MMZXJBFBBYZCTF-OJGATFIESA-N
Molecular Weight 344.539 g/mol
SMILES [C@@]12([C@](C[C@@]([C@@](C2)(OC(=O)C)[H])(C\C=C\CCC(=C)C)[H])([H])[C@@]1(CCC(=C)C)[H])C
SPLASH splash10-0a4i-0900000000-2451e014b34e1a88fba9
Source of Spectrum J-60-4195-45
Synonyms (1R,3R,4S,6S,7S)-1-methyl-7-(3-methyl-3-butenyl)-4-[(2E)-6-methyl-2,6-heptadienyl]bicyclo[4.1.0]hept-3-yl acetate acetic acid[(1R,3R,4S,6S,7S)-1-methyl-7-(3-methylbut-3-enyl)-4-[(2E)-6-methylhepta-2,6-dienyl]norcaran-3-yl]ester acetic acid[(1S,3S,4R,6R,7S)-6-methyl-7-(3-methylbut-3-enyl)-3-[(2E)-6-methylhepta-2,6-dienyl]-4-bicyclo[4.1.0]heptanyl]ester [(1R,3R,4S,6S,7S)-1-methyl-7-(3-methylbut-3-enyl)-4-[(2E)-6-methylhepta-2,6-dienyl]norcaran-3-yl]acetate [(1S,3S,4R,6R,7S)-6-methyl-7-(3-methylbut-3-enyl)-3-[(2E)-6-methylhepta-2,6-dienyl]-4-bicyclo[4.1.0]heptanyl]acetate [(1S,3S,4R,6R,7S)-6-methyl-7-(3-methylbut-3-enyl)-3-[(2E)-6-methylhepta-2,6-dienyl]-4-bicyclo[4.1.0]heptanyl]ethanoate acetic acid [(1S,3S,4R,6R,7S)-6-methyl-7-(3-methylbut-3-enyl)-3-[(2E)-6-methylhepta-2,6-dienyl]-4-bicyclo[4.1.0]heptanyl] ester [(1S,3S,4R,6R,7S)-6-methyl-7-(3-methylbut-3-enyl)-3-[(2E)-6-methylhepta-2,6-dienyl]-4-bicyclo[4.1.0]heptanyl] acetate [(1R,3R,4S,6S,7S)-1-methyl-7-(3-methylbut-3-enyl)-4-[(2E)-6-methylhepta-2,6-dienyl]norcaran-3-yl] acetate [(1S,3S,4R,6R,7S)-6-methyl-7-(3-methylbut-3-enyl)-3-[(2E)-6-methylhepta-2,6-dienyl]-4-bicyclo[4.1.0]heptanyl] ethanoate
Wiley ID 1338361