| 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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