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(3R,4S,5R)-3,4,5-tris(((Z)-2-methylbut-2-enoyl)oxy)cyclohex-1-enecarboxylic acid
SpectraBase Compound ID 48cAsFYgDBb
InChI InChI=1S/C22H28O8/c1-7-12(4)20(25)28-16-10-15(19(23)24)11-17(29-21(26)13(5)8-2)18(16)30-22(27)14(6)9-3/h7-10,16-18H,11H2,1-6H3,(H,23,24)/b12-7-,13-8-,14-9-/t16-,17-,18-/m1/s1
InChIKey VUTDZPWKZJTRIJ-XLDSHSSTSA-N
Mol Weight 420.46 g/mol
Molecular Formula C22H28O8
Exact Mass 420.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWE3rsRaxR0
Name (3R,4S,5R)-3,4,5-tris(((Z)-2-methylbut-2-enoyl)oxy)cyclohex-1-enecarboxylic acid
Alternate Name(s) (3R,4S,5R)-3,4,5-tris(((Z)-2-methylbut-2-enoyl)oxy)cyclohex-1-ene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O8
InChI InChI=1S/C22H28O8/c1-7-12(4)20(25)28-16-10-15(19(23)24)11-17(29-21(26)13(5)8-2)18(16)30-22(27)14(6)9-3/h7-10,16-18H,11H2,1-6H3,(H,23,24)/b12-7-,13-8-,14-9-/t16-,17-,18-/m1/s1
InChIKey VUTDZPWKZJTRIJ-XLDSHSSTSA-N
Molecular Weight 420.458 g/mol
SMILES C1(=C[C@]([C@]([C@@](C1)(OC(=O)\C(=C/C)C)[H])(OC(=O)\C(=C/C)C)[H])(OC(=O)\C(=C/C)C)[H])C(O)=O
SPLASH splash10-053r-9000000000-4bb75a7c809ce46a5feb
Source of Spectrum Liliana Ruiz-Vasquez, et al. Phytochemistry, V.117, 2015, P.245-253
Wiley ID 1815319