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1,3-Benzenediol, 2-[6-[1-[(acetyloxy)methyl]ethenyl]-3-methyl-2-cyclohexen-1-yl]-5-pentyl-, diacetate, (1R-trans)-
SpectraBase Compound ID 1QcHNJPI8JQ
InChI InChI=1S/C27H36O6/c1-7-8-9-10-22-14-25(32-20(5)29)27(26(15-22)33-21(6)30)24-13-17(2)11-12-23(24)18(3)16-31-19(4)28/h13-15,23-24H,3,7-12,16H2,1-2,4-6H3/t23-,24+/m0/s1
InChIKey YCLNLJNNLUKMNW-BJKOFHAPSA-N
Mol Weight 456.6 g/mol
Molecular Formula C27H36O6
Exact Mass 456.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3uIXC8um9Q
Name 1,3-Benzenediol, 2-[6-[1-[(acetyloxy)methyl]ethenyl]-3-methyl-2-cyclohexen-1-yl]-5-pentyl-, diacetate, (1R-trans)-
CAS Registry Number 57361-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O6
InChI InChI=1S/C27H36O6/c1-7-8-9-10-22-14-25(32-20(5)29)27(26(15-22)33-21(6)30)24-13-17(2)11-12-23(24)18(3)16-31-19(4)28/h13-15,23-24H,3,7-12,16H2,1-2,4-6H3/t23-,24+/m0/s1
InChIKey YCLNLJNNLUKMNW-BJKOFHAPSA-N
Molecular Weight 456.579 g/mol
SMILES c1([C@]2([C@](C(COC(=O)C)=C)(CCC(=C2)C)[H])[H])c(OC(=O)C)cc(cc1OC(=O)C)CCCCC
SPLASH splash10-005i-0093000000-54962bbb965f996f9133
Source of Spectrum KC-1976-13-0
Synonyms 10-Hydroxycannabidiol triacetate 3-(acetyloxy)-2-((1R,6R)-6-{1-[(acetyloxy)methyl]vinyl}-3-methyl-2-cyclohexen-1-yl)-5-pentylphenyl acetate 9-Hydroxycannabidiol triacetate
Wiley ID 1389361