1147861-80-0

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1147861-80-0 Structure

Identification	Back Directory
[Name] D-Gluconic acid, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
[CAS] 1147861-80-0
[Synonyms] 6-[(2E)-3-(3 4-dihydroxyphenyl)-2-propenoate D-Gluconic acid, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
[Molecular Formula] C15H18O10
[MOL File] 1147861-80-0.mol
[Molecular Weight] 358.3

Chemical Properties	Back Directory
[Boiling point ] 801.9±65.0 °C(Predicted)
[density ] 1.659±0.06 g/cm3(Predicted)
[pka] 3.32±0.35(Predicted)
[InChI] InChI=1S/C15H18O10/c16-8-3-1-7(5-9(8)17)2-4-11(19)25-6-10(18)12(20)13(21)14(22)15(23)24/h1-5,10,12-14,16-18,20-22H,6H2,(H,23,24)/b4-2+/t10-,12-,13+,14-/m1/s1
[InChIKey] IZTWJFXKOMYWBU-XAVAJTHBSA-N
[SMILES] C(O)(=O)[C@@H]([C@H]([C@@H]([C@@H](COC(=O)/C=C/C1=CC=C(O)C(O)=C1)O)O)O)O

Hazard Information	Back Directory
[Uses] trans-Caffeoyl-6-O-D-gluconic acid is a natural product, that can be isolated from the nearly ripe fruits of Evodia rutaecarpa (Juss.) Benth.[1].
[References] [1] He Y, et al. A new caffeoylgluconic acid derivative from the nearly ripe fruits of Evodia rutaecarpa. Nat Prod Res. 2015;29(13):1243-8. DOI:10.1080/14786419.2015.1024116

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