Synonym: 1,4,5-Trihydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); 3-(3,4-Dihydroxycinnamoyl)quinic acid
CAS Number: 327-97-9
Empirical Formula (Hill Notation): C16H18O9
Molecular Weight: 354.31
EC Number: 206-325-6
MDL Number: MFCD00003862
Linear Formula: C16H18O9
Product Type: Chemical
| grade |
primary reference standard |
| InChI |
1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| InChI key |
CWVRJTMFETXNAD-JUHZACGLSA-N |
| manufacturer/tradename |
HWI |
| mp |
210 °C (dec.) (lit.) |
| shelf life |
limited shelf life, expiry date on the label |
| SMILES string |
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |
| technique(s) |
gas chromatography (GC): suitable |
| |
HPLC: suitable |
| Application: |
Reference standard in the analysis of herbal medicinal products |
| General description: |
Produced and qualified by HWI pharma services GmbH.
Exact content by quantitative NMR can be found on the certificate. |
| Other Notes: |
This compound is commonly found in plants of the genus: angelica arnica carum crataegus echinacea hedera humulus hypericum melissa pimpinella plantago salvia sambucus valeriana |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| mp |
210 °C (dec.) (lit.) |
| UNSPSC |
85151701 |
