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Cannabidiol

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, and 13 MS (GC)

Cannabidiol
SpectraBase Compound ID KNzteyi2jA3
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/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
InChIKey QHMBSVQNZZTUGM-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 39DIszsyULi
Name 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-
CAS Registry Number 13956-29-1
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/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
InChIKey QHMBSVQNZZTUGM-ZWKOTPCHSA-N
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-1690000000-0eb41e5e96c58f46f20d
Source of Spectrum HE-1986-1547-0
Synonyms 2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol (-)-Cannabidiol (-)-trans-2-p-Mentha-1,8-dien-3-yl-5-pentylresorcinol (-)-trans-Cannabidiol (3R,4R)-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol .delta.1(2)-trans-Cannabidiol 1,3-Benzenediol, 2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-trans)- 1,3-Benzenediol, 2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl- 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-3-cyclohexen-1-yl]-5-pentyl- 2-(3-Methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl)-5-pentyl-benzene-1,3-diol 2-(6-isopropenyl-3-methyl-cyclohex-2-en-1-yl)-5-pentyl-benzene-1,3-diol 2-[3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol 2-[3-methyl-6-(methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol 5-Amyl-2-(6-isopropenyl-3-methyl-cyclohex-2-en-1-yl)resorcinol CBD D1(2)-trans-cannabidiol Delta1(2)-trans-cannabidiol Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl- Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)- Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, trans-(-)- 2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol 2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol 2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-benzene-1,3-diol 2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-yl]-5-pentyl-benzene-1,3-diol
Wiley ID 1315539