| Identification | Back Directory | [Name]
3,5-Di-O-galloylshikimic acid | [CAS]
95753-52-9 | [Synonyms]
3,5-Di-O-galloylshikimic acid
Benzoic acid, 3,4,5-trihydroxy-, 1,1'-[(1R,2S,3R)-5-carboxy-2-hydroxy-4-cyclohexene-1,3-diyl] ester | [Molecular Formula]
C21H18O13 | [MDL Number]
MFCD24849385 | [MOL File]
95753-52-9.mol | [Molecular Weight]
478.36 |
| Chemical Properties | Back Directory | [Boiling point ]
930.1±65.0 °C(Predicted) | [density ]
1.89±0.1 g/cm3(Predicted) | [storage temp. ]
-20°C | [form ]
solid | [pka]
4.04±0.70(Predicted) | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChIKey]
GASRJYBPBZZTBO-IIDMSEBBSA-N | [SMILES]
O[C@H]1[C@@H](CC(=C[C@H]1OC(=O)c2cc(O)c(O)c(O)c2)C(O)=O)OC(=O)c3cc(O)c(O)c(O)c3 |
|
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|