
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 72581-71-6 |
| Catalog No. | 2A-9047469 |
| Chinese Name | 异水飞蓟宾 |
| Synonyms | Isosilybin; isosilibinin |
| Molecular Formula | C25H22O10 |
| Molecular Weight | 482.44 |
| Purity | ≥98 (HPLC) |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 793.0±60.0 °C at 760 mmHg |
| Appearance | powder |
| Application | Isosilybin (Isosilybinin) is a flavonoid from milk thistle; inhibits CYP3A4 induction with an IC50 value of 74 μM. |
| MDL Number | MFCD09842608 |
| SMILES | O1C(C(Oc3c1cc(cc3)C4Oc5c(c(cc(c5)O)O)C(=O)C4O)c2cc(c(cc2)O)OC)CO |
| InChI | 1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3 |
| InChI Key | FDQAOULAVFHKBX-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/47469_1_72581_71_6.pdf |
| Transport Info | Product Name: Isosilybin |
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