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(6aR,10aR)-9.beta.,10.beta.-Epoxyhexahydrocannabinol
SpectraBase Compound ID CZV2LWp1MWL
InChI InChI=1S/C21H30O3/c1-5-6-7-8-13-11-15(22)18-16(12-13)23-20(2,3)14-9-10-21(4)19(24-21)17(14)18/h11-12,14,17,19,22H,5-10H2,1-4H3/t14-,17-,19+,21-/m1/s1
InChIKey VSQGBNUBIDZRPJ-BWZSVYRMSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5SDbfhEXoVs
Name (6aR,10aR)-9.beta.,10.beta.-Epoxyhexahydrocannabinol
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-5-6-7-8-13-11-15(22)18-16(12-13)23-20(2,3)14-9-10-21(4)19(24-21)17(14)18/h11-12,14,17,19,22H,5-10H2,1-4H3/t14-,17-,19+,21-/m1/s1
InChIKey VSQGBNUBIDZRPJ-BWZSVYRMSA-N
Instrument Name HP 6890-5973 GC
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.5b00065
Optical Rotation [a]D25 = -36.6 (c = 0.06, CHCl3)
Reported Formula C21H30O3
SMILES Oc1c2[C@]3([C@](C(Oc2cc(c1)CCCCC)(C)C)(CC[C@@]1([C@]3(O1)[H])C)[H])[H]
SPLASH splash10-00yi-0094000000-51379657e17549150988
Source of Spectrum G4-78-1275-6
Wiley ID 1865869