| Identification | Back Directory | [Name]
3,4-Di-O-galloylshikimic acid | [CAS]
95753-51-8 | [Synonyms]
3,4-Di-O-galloylshikimic acid
(-)-shikimic acid 3,4-O-digallate
Benzoic acid, 3,4,5-trihydroxy-, 5-carboxy-3-hydroxy-4-cyclohexene-1,2-diyl ester, [1R-(1α,2β,3β)]- (9CI) | [Molecular Formula]
C21H18O13 | [MDL Number]
MFCD24849384 | [MOL File]
95753-51-8.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]
4.08±0.70(Predicted) | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChIKey]
UFDJVOQZZQZYJG-IIDMSEBBSA-N | [SMILES]
O[C@@H]1C=C(C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c3cc(O)c(O)c(O)c3)C(O)=O |
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| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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