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CBD-aldehyde diacetate
SpectraBase Compound ID JEi0Fpb4KIT
InChI InChI=1S/C25H32O5/c1-6-7-8-9-20-13-23(29-18(4)27)25(24(14-20)30-19(5)28)22-12-16(2)10-11-21(22)17(3)15-26/h12-15,21-22H,3,6-11H2,1-2,4-5H3/t21-,22+/m0/s1
InChIKey XRIRENJXKFSNMW-FCHUYYIVSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CVdABCxxzu
Name CBD-aldehyde diacetate
CAS Registry Number 57361-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-6-7-8-9-20-13-23(29-18(4)27)25(24(14-20)30-19(5)28)22-12-16(2)10-11-21(22)17(3)15-26/h12-15,21-22H,3,6-11H2,1-2,4-5H3/t21-,22+/m0/s1
InChIKey XRIRENJXKFSNMW-FCHUYYIVSA-N
Molecular Weight 412.526 g/mol
SMILES c1([C@]2([C@](C(=C)C=O)(CCC(=C2)C)[H])[H])c(OC(=O)C)cc(cc1OC(=O)C)CCCCC
SPLASH splash10-0w30-0049000000-dd28dfd2b89b74a9d057
Source of Spectrum KC-1976-13-0
Synonyms Acetic acid [3-acetyloxy-2-[(1R,6R)-3-methyl-6-(3-oxoprop-1-en-2-yl)-1-cyclohex-2-enyl]-5-pentylphenyl] ester [3-acetyloxy-2-[(1R,6R)-3-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-2-en-1-yl]-5-pentylphenyl] acetate [3-acetoxy-2-[(1R,6R)-6-(1-formylvinyl)-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-phenyl] acetate [3-acetyloxy-2-[(1R,6R)-3-methyl-6-(3-oxidanylideneprop-1-en-2-yl)cyclohex-2-en-1-yl]-5-pentyl-phenyl] ethanoate BRN 3633738
Wiley ID 1374541