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2-[(1R,2R)-2-isopropenyl-5-methylene-cyclohexyl]-5-pentyl-benzene-1,3-diol
SpectraBase Compound ID BbtMOVbXbuy
InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,17-18,22-23H,2,4-11H2,1,3H3/t17-,18+/m0/s1
InChIKey KLYPAQJXUITNGB-ZWKOTPCHSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QljqaNN6Zd
Name 2-[(1R,2R)-2-isopropenyl-5-methylene-cyclohexyl]-5-pentyl-benzene-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h12-13,17-18,22-23H,2,4-11H2,1,3H3/t17-,18+/m0/s1
InChIKey KLYPAQJXUITNGB-ZWKOTPCHSA-N
Instrument Name Thermo Scientific DSQII
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.1c00567
Molecular Weight 314.469 g/mol
SMILES Oc1c(c(cc(c1)CCCCC)O)[C@]1([C@](C(C)=C)(CCC(C1)=C)[H])[H]
SPLASH splash10-001i-0590000000-6f054e20d810e7b71fad
Source of Spectrum G4-84-SM30-6, .delta.7-CBD
Wiley ID 1884112