
CAS Number1884-23-7
SynonymsListrocol; Acido,1,4-dicaffeilchinico; 1,5-Dicaffeoylquinic acid; 1-Carboxy-4,5-dihydroxy-1,3-cyclohexylenebis-(3,4-dihydroxycinnamate); 3,4-Dihydroxycinnamic Acid 1-Carboxy-4,5-dihydroxy-1,3-cyclohexylene Ester; 1,4-Dicaffeylquinic acid; Caffeic Acid 1-Carboxy-4,5-dihydroxy-1,3-cyclohexylene Ester; Cinarcaf; 1,5-Dicaffeylquinic Acid; Cynarine; Quinic Acid 1,5-Dicaffeic Ester; Plemocil; EINECS 214-655-7
Molecular FormulaC25H24O12
Molecular Weight516.451
Density1.6±0.1 g/cm3
Boiling Point819.9±65.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1884-23-7 |
| Catalog No. | 2A-0202598 |
| Chinese Name | 洋蓟素(1,3-二咖啡酰奎宁酸) |
| Synonyms | Listrocol; Acido,1,4-dicaffeilchinico; 1,5-Dicaffeoylquinic acid; 1-Carboxy-4,5-dihydroxy-1,3-cyclohexylenebis-(3,4-dihydroxycinnamate); 3,4-Dihydroxycinnamic Acid 1-Carboxy-4,5-dihydroxy-1,3-cyclohexylene Ester; 1,4-Dicaffeylquinic acid; Caffeic Acid 1-Carboxy-4,5-dihydroxy-1,3-cyclohexylene Ester; Cinarcaf; 1,5-Dicaffeylquinic Acid; Cynarine; Quinic Acid 1,5-Dicaffeic Ester; Plemocil; EINECS 214-655-7 |
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.451 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 819.9±65.0 °C at 760 mmHg |
| SMILES | OC1CC(CC(O)C1OC(=O)\C=C\c2ccc(O)c(O)c2)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=O |
| InChI | InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+ |
| InChI Key | InChIKey=IYXQRCXQQWUFQV-FCXRPNKRSA-N |
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