CAS Number14534-61-3
Synonyms4,5-di-O-trans-caffeoyl-D-quinic acid; Quinic acid 3,4-di-O-caffeate; IsochlorogenicacidB; ISOCHLOROGENIC ACID B(RG); 3,4-Dicaffeoylquinic acid; 4,5-di-O-caffeoylquinic acid; 4,5-di-O-trans-caffeoylquininc acid; 3,4-Di-O-caffeoylquinic acid; Isochlorogenic acid B(3,4'); Isochlorogenic acid B
Molecular FormulaC25H24O12
Molecular Weight516.45
Purity≥90 (LC/MS-ELSD)%
Density1.6±0.1 g/cm3
Boiling Point820.8±65.0 °C at 760 mmHg
Appearancesolid
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| Chemical & Physical Properties | |
|---|---|
| CAS Number | 14534-61-3 |
| Catalog No. | 2A-9036247 |
| Chinese Name | 异绿原酸B |
| Synonyms | 4,5-di-O-trans-caffeoyl-D-quinic acid; Quinic acid 3,4-di-O-caffeate; IsochlorogenicacidB; ISOCHLOROGENIC ACID B(RG); 3,4-Dicaffeoylquinic acid; 4,5-di-O-caffeoylquinic acid; 4,5-di-O-trans-caffeoylquininc acid; 3,4-Di-O-caffeoylquinic acid; Isochlorogenic acid B(3,4'); Isochlorogenic acid B |
| Molecular Formula | C25H24O12 |
| Molecular Weight | 516.45 |
| Purity | ≥90 (LC/MS-ELSD) |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 820.8±65.0 °C at 760 mmHg |
| Appearance | solid |
| Storage Condition | ?20°C |
| Application | Isochlorogenic acid B (3 4-dicaffeoylquinic acid) is the main component of Brazilian propolis. |
| PubChem ID | 329824881 |
| MDL Number | MFCD22375481 |
| SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=O |
| InChI | 1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1 |
| InChI Key | UFCLZKMFXSILNL-PSEXTPKNSA-N |
| NACRES Code | NA.25 |
| UNSPSC | 12352205 |
| MSDS | msds/36247_1_14534_61_3.pdf |
| Transport Info | Product name: Isochlorogenic acid B |
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