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rel-(1S,4R,5S,6R)-4,5-Diacetoxy-6-[(R)-1,5-dimethylhexa-3,5-dienyl]-3-methylcyclohex-2-enyl (Z)-2-Methylbut-2-enoate
SpectraBase Compound ID 2iOZ0yJeICw
InChI InChI=1S/C24H34O6/c1-9-15(4)24(27)30-20-13-17(6)22(28-18(7)25)23(29-19(8)26)21(20)16(5)12-10-11-14(2)3/h9-11,13,16,20-23H,2,12H2,1,3-8H3/b11-10+,15-9-/t16-,20-,21+,22+,23-/m0/s1
InChIKey XCZBNYPBEODIIG-FBHMKJFWSA-N
Mol Weight 418.5 g/mol
Molecular Formula C24H34O6
Exact Mass 418.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jx5ASit53BD
Name rel-(1S,4R,5S,6R)-4,5-Diacetoxy-6-[(R)-1,5-dimethylhexa-3,5-dienyl]-3-methylcyclohex-2-enyl (Z)-2-Methylbut-2-enoate
Alternate Name(s) (1S,2R,5S,6R)-3-methyl-5-(((Z)-2-methylbut-2-enoyl)oxy)-6-((S,E)-6-methylhepta-4,6-dien-2-yl)cyclohex-3-ene-1,2-diyl diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O6
InChI InChI=1S/C24H34O6/c1-9-15(4)24(27)30-20-13-17(6)22(28-18(7)25)23(29-19(8)26)21(20)16(5)12-10-11-14(2)3/h9-11,13,16,20-23H,2,12H2,1,3-8H3/b11-10+,15-9-/t16-,20-,21+,22+,23-/m0/s1
InChIKey XCZBNYPBEODIIG-FBHMKJFWSA-N
Literature Reference DOI 10.1002/cbdv.200690080
Molecular Weight 418.530 g/mol
SMILES C(\C(=C/C)C)(=O)O[C@]1(C=C([C@]([C@]([C@@]1([C@](C\C=C\C(=C)C)(C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])C)[H]
SPLASH splash10-0a5c-9300000000-90faf9537b694452d38f
Source of Spectrum CBD-3-789-1
Wiley ID 1790317