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rel-(1S,4R,5S,6R)-4,5-Diacetoxy-6-[(R)-5-hydroxy-1,5-dimethylhex-3-enyl]-3-methylcyclohex-2-en-yl (Z)-2-Methylbut-2-enoate

View entire compound with spectra: 1 MS (GC)

rel-(1S,4R,5S,6R)-4,5-Diacetoxy-6-[(R)-5-hydroxy-1,5-dimethylhex-3-enyl]-3-methylcyclohex-2-en-yl (Z)-2-Methylbut-2-enoate
SpectraBase Compound ID JkfuCg3F2j5
InChI InChI=1S/C24H36O7/c1-9-14(2)23(27)31-19-13-16(4)21(29-17(5)25)22(30-18(6)26)20(19)15(3)11-10-12-24(7,8)28/h9-10,12-13,15,19-22,28H,11H2,1-8H3/b12-10+,14-9-/t15-,19-,20+,21+,22-/m0/s1
InChIKey JFDZYIQQSHIQHS-KCOMVXPASA-N
Mol Weight 436.5 g/mol
Molecular Formula C24H36O7
Exact Mass 436.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASsQpg3jJv9
Name rel-(1S,4R,5S,6R)-4,5-Diacetoxy-6-[(R)-5-hydroxy-1,5-dimethylhex-3-enyl]-3-methylcyclohex-2-en-yl (Z)-2-Methylbut-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O7
InChI InChI=1S/C24H36O7/c1-9-14(2)23(27)31-19-13-16(4)21(29-17(5)25)22(30-18(6)26)20(19)15(3)11-10-12-24(7,8)28/h9-10,12-13,15,19-22,28H,11H2,1-8H3/b12-10+,14-9-/t15-,19-,20+,21+,22-/m0/s1
InChIKey JFDZYIQQSHIQHS-KCOMVXPASA-N
Literature Reference DOI 10.1002/cbdv.200690080
Molecular Weight 436.545 g/mol
SMILES OC(\C=C\C[C@](C)([C@]1([C@@]([C@@](C(=C[C@@]1(OC(\C(=C/C)C)=O)[H])C)(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])(C)C
SPLASH splash10-0536-9300000000-b1c2103a089efc2779ea
Source of Spectrum CBD-3-789-2
Synonyms (1S,2R,5S,6R)-6-((S,E)-6-hydroxy-6-methylhept-4-en-2-yl)-3-methyl-5-(((Z)-2-methylbut-2-enoyl)oxy)cyclohex-3-ene-1,2-diyl diacetate
Wiley ID 1790318