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rel-(1R,2S,4R,5S)-4-Acetoxy-2-[(R)-5-hydroxy-1,5-dimethylhex-3-enyl]-5-methylcyclohexyl (Z)-2-Methylbut-2-enoate
SpectraBase Compound ID 9ZxUQLO8KXJ
InChI InChI=1S/C22H36O5/c1-8-14(2)21(24)27-20-12-16(4)19(26-17(5)23)13-18(20)15(3)10-9-11-22(6,7)25/h8-9,11,15-16,18-20,25H,10,12-13H2,1-7H3/b11-9-,14-8+/t15-,16+,18+,19-,20-/m1/s1
InChIKey LHGGSMFQENYPGC-GGVLXXQNSA-N
Mol Weight 380.5 g/mol
Molecular Formula C22H36O5
Exact Mass 380.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cm1JXwAlNLs
Name rel-(1R,2S,4R,5S)-4-Acetoxy-2-[(R)-5-hydroxy-1,5-dimethylhex-3-enyl]-5-methylcyclohexyl (Z)-2-Methylbut-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O5
InChI InChI=1S/C22H36O5/c1-8-14(2)21(24)27-20-12-16(4)19(26-17(5)23)13-18(20)15(3)10-9-11-22(6,7)25/h8-9,11,15-16,18-20,25H,10,12-13H2,1-7H3/b11-9-,14-8+/t15-,16+,18+,19-,20-/m1/s1
InChIKey LHGGSMFQENYPGC-GGVLXXQNSA-N
Literature Reference DOI 10.1002/cbdv.200690080
Molecular Weight 380.525 g/mol
SMILES OC(\C=C/C[C@@](C)([C@]1([C@@](C[C@@]([C@@](C1)(OC(=O)C)[H])(C)[H])(OC(\C(=C\C)C)=O)[H])[H])[H])(C)C
SPLASH splash10-053u-9210000000-da6df55d7bdfee172b9e
Source of Spectrum CBD-3-789-3
Synonyms (1R,2S,4R,5S)-4-acetoxy-2-((R,Z)-6-hydroxy-6-methylhept-4-en-2-yl)-5-methylcyclohexyl (E)-2-methylbut-2-enoate
Wiley ID 1790319