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(5S,7S,8S)-2-Butyl-7,8-dihydroxybicyclo[3.3.0]oct-1-en-3-one

View entire compound with spectra: 1 MS (GC)

(5S,7S,8S)-2-Butyl-7,8-dihydroxybicyclo[3.3.0]oct-1-en-3-one
SpectraBase Compound ID DfptaXhgErx
InChI InChI=1S/C12H18O3/c1-2-3-4-8-9(13)5-7-6-10(14)12(15)11(7)8/h7,10,12,14-15H,2-6H2,1H3/t7-,10+,12-/m1/s1
InChIKey FUEROKUUDQIMIO-INNHCVQGSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Pzp42YLnTf
Name (5S,7S,8S)-2-Butyl-7,8-dihydroxybicyclo[3.3.0]oct-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-2-3-4-8-9(13)5-7-6-10(14)12(15)11(7)8/h7,10,12,14-15H,2-6H2,1H3/t7-,10+,12-/m1/s1
InChIKey FUEROKUUDQIMIO-INNHCVQGSA-N
Molecular Weight 210.273 g/mol
SMILES O[C@@]1([C@](C[C@]2(CC(C(=C12)CCCC)=O)[H])(O)[H])[H]
SPLASH splash10-00kg-8920000000-932350b8565e733ead4c
Source of Spectrum KC-0-2910-12
Synonyms (3aS,5S,6S)-1-butyl-5,6-dihydroxy-3a,4,5,6-tetrahydro-2(3H)-pentalenone (5S,7S,8S) and (5R,7S,8S)-2-Butyl-7,8-dihydroxybicyclo[3.3.0]oct-1-en-3-one
Wiley ID 826385