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(3R,4S,5R)-4-(hexanoyloxy)-3,5-bis(((Z)-2-methylbut-2-enoyl)oxy)cyclohex-1-enecarboxylic acid
SpectraBase Compound ID GkGm1bc9TCx
InChI InChI=1S/C23H32O8/c1-6-9-10-11-19(24)31-20-17(29-22(27)14(4)7-2)12-16(21(25)26)13-18(20)30-23(28)15(5)8-3/h7-8,12,17-18,20H,6,9-11,13H2,1-5H3,(H,25,26)/b14-7-,15-8-/t17-,18-,20-/m1/s1
InChIKey GVIHVFDRDXVUFJ-LUYVJNCJSA-N
Mol Weight 436.5 g/mol
Molecular Formula C23H32O8
Exact Mass 436.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Uqyc51TFM4
Name (3R,4S,5R)-4-(hexanoyloxy)-3,5-bis(((Z)-2-methylbut-2-enoyl)oxy)cyclohex-1-enecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O8
InChI InChI=1S/C23H32O8/c1-6-9-10-11-19(24)31-20-17(29-22(27)14(4)7-2)12-16(21(25)26)13-18(20)30-23(28)15(5)8-3/h7-8,12,17-18,20H,6,9-11,13H2,1-5H3,(H,25,26)/b14-7-,15-8-/t17-,18-,20-/m1/s1
InChIKey GVIHVFDRDXVUFJ-LUYVJNCJSA-N
Molecular Weight 436.501 g/mol
SMILES C1(=C[C@]([C@]([C@@](C1)(OC(=O)\C(=C/C)C)[H])(OC(=O)CCCCC)[H])(OC(=O)\C(=C/C)C)[H])C(O)=O
SPLASH splash10-0089-9050000000-dd219bbbcada20eb8c1f
Source of Spectrum Liliana Ruiz-Vasquez, et al. Phytochemistry, V.117, 2015, P.245-253
Synonyms (3R,4S,5R)-4-(hexanoyloxy)-3,5-bis(((Z)-2-methylbut-2-enoyl)oxy)cyclohex-1-ene-1-carboxylic acid
Wiley ID 1815318