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Bicyclo[4.1.0]heptane-2,3-diol, 2,6-dimethyl-1-(3-methyl-1,3-butadienyl)-, 3-acetate, [1.alpha.(E),2.beta.,3.beta.,6.alpha.]-

View entire compound with spectra: 1 MS (GC)

Bicyclo[4.1.0]heptane-2,3-diol, 2,6-dimethyl-1-(3-methyl-1,3-butadienyl)-, 3-acetate, [1.alpha.(E),2.beta.,3.beta.,6.alpha.]-
SpectraBase Compound ID FJ1VQP9Q00N
InChI InChI=1S/C16H24O3/c1-11(2)6-9-16-10-14(16,4)8-7-13(15(16,5)18)19-12(3)17/h6,9,13,18H,1,7-8,10H2,2-5H3/b9-6+/t13-,14+,15-,16-/m0/s1
InChIKey HHBYGQOEURNIIS-SYZLPROGSA-N
Mol Weight 264.36 g/mol
Molecular Formula C16H24O3
Exact Mass 264.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 633Lf56Ov7t
Name Bicyclo[4.1.0]heptane-2,3-diol, 2,6-dimethyl-1-(3-methyl-1,3-butadienyl)-, 3-acetate, [1.alpha.(E),2.beta.,3.beta.,6.alpha.]-
CAS Registry Number 81052-63-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3
InChI InChI=1S/C16H24O3/c1-11(2)6-9-16-10-14(16,4)8-7-13(15(16,5)18)19-12(3)17/h6,9,13,18H,1,7-8,10H2,2-5H3/b9-6+/t13-,14+,15-,16-/m0/s1
InChIKey HHBYGQOEURNIIS-SYZLPROGSA-N
Molecular Weight 264.365 g/mol
SMILES O[C@@]1([C@@]2([C@@](CC[C@@]1(OC(=O)C)[H])(C)C2)\C=C\C(=C)C)C
SPLASH splash10-0006-9020000000-e08f942e04780f95b9a0
Source of Spectrum F-37-3342-0
Synonyms (1R*,2R*,3S*,6R*)-3-acetoxy-2,6-dimethyl-1-[(E)-3'-methyl-1',3'-butadienyl]-bicyclo[4.1.0]2-heptanol (1R,2R,3S,6R)-2-hydroxy-2,6-dimethyl-1-[(1E)-3-methyl-1,3-butadienyl]bicyclo[4.1.0]hept-3-yl acetate Acetic acid[(1R,2R,3S,6R)-2-hydroxy-2,6-dimethyl-1-[(1E)-3-methylbuta-1,3-dienyl]norcaran-3-yl]ester Acetic acid[(1R,4S,5R,6R)-5-hydroxy-1,5-dimethyl-6-[(1E)-3-methylbuta-1,3-dienyl]-4-bicyclo[4.1.0]heptanyl]ester [(1R,2R,3S,6R)-2-hydroxy-2,6-dimethyl-1-[(1E)-3-methylbuta-1,3-dienyl]norcaran-3-yl]acetate [(1R,4S,5R,6R)-1,5-dimethyl-6-[(1E)-3-methylbuta-1,3-dienyl]-5-oxidanyl-4-bicyclo[4.1.0]heptanyl]ethanoate [(1R,4S,5R,6R)-5-hydroxy-1,5-dimethyl-6-[(1E)-3-methylbuta-1,3-dienyl]-4-bicyclo[4.1.0]heptanyl]acetate Acetic acid [(1R,4S,5R,6R)-5-hydroxy-1,5-dimethyl-6-[(1E)-3-methylbuta-1,3-dienyl]-4-bicyclo[4.1.0]heptanyl] ester [(1R,4S,5R,6R)-5-hydroxy-1,5-dimethyl-6-[(1E)-3-methylbuta-1,3-dienyl]-4-bicyclo[4.1.0]heptanyl] acetate [(1R,2R,3S,6R)-2-hydroxy-2,6-dimethyl-1-[(1E)-3-methylbuta-1,3-dienyl]norcaran-3-yl] acetate [(1R,4S,5R,6R)-1,5-dimethyl-6-[(1E)-3-methylbuta-1,3-dienyl]-5-oxidanyl-4-bicyclo[4.1.0]heptanyl] ethanoate
Wiley ID 1268225