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(3R,4S,5R)-4-acetoxy-3,5-bis(((Z)-2-methylbut-2-enoyl)oxy)cyclohex-1-enecarboxylic acid
SpectraBase Compound ID 2GqD3u1souo
InChI InChI=1S/C19H24O8/c1-6-10(3)18(23)26-14-8-13(17(21)22)9-15(16(14)25-12(5)20)27-19(24)11(4)7-2/h6-8,14-16H,9H2,1-5H3,(H,21,22)/b10-6-,11-7-/t14-,15-,16-/m1/s1
InChIKey KBFQTQQCMKSAHI-LSNGICDRSA-N
Mol Weight 380.39 g/mol
Molecular Formula C19H24O8
Exact Mass 380.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ELvb6Rkw8z
Name (3R,4S,5R)-4-acetoxy-3,5-bis(((Z)-2-methylbut-2-enoyl)oxy)cyclohex-1-enecarboxylic acid
Alternate Name(s) (3R,4S,5R)-4-acetoxy-3,5-bis(((Z)-2-methylbut-2-enoyl)oxy)cyclohex-1-ene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O8
InChI InChI=1S/C19H24O8/c1-6-10(3)18(23)26-14-8-13(17(21)22)9-15(16(14)25-12(5)20)27-19(24)11(4)7-2/h6-8,14-16H,9H2,1-5H3,(H,21,22)/b10-6-,11-7-/t14-,15-,16-/m1/s1
InChIKey KBFQTQQCMKSAHI-LSNGICDRSA-N
Molecular Weight 380.393 g/mol
SMILES C1(=C[C@]([C@]([C@@](C1)(OC(=O)\C(=C/C)C)[H])(OC(=O)C)[H])(OC(=O)\C(=C/C)C)[H])C(O)=O
SPLASH splash10-053r-9000000000-db55a179646ac5a53eff
Source of Spectrum Liliana Ruiz-Vasquez, et al. Phytochemistry, V.117, 2015, P.245-253
Wiley ID 1815320