Catalog Number |
ACM3681934 |
CAS |
3681-93-4 |
Structure |
|
IUPAC Name |
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one |
Synonyms |
Vitexin 5,7-Dihydroxy-8-beta-D-glucopyranosyl-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
Molecular Weight |
432.38 |
Molecular Formula |
C21H20O10 |
Canonical SMILES |
C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
InChI |
InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1 |
InChI Key |
SGEWCQFRYRRZDC-VPRICQMDSA-N |
Boiling Point |
767.7±60.0 °C |
Melting Point |
256-257 °C |
Flash Point |
273.1±26.4 °C |
Purity |
98% |
Density |
1.686±0.06 g/ml |
Appearance |
Powder |
Exact Mass |
432.105652 |
Log P |
1.28 |
PSA |
181.05000 |
Refractive Index |
1.743 |
Vapor Pressure |
0.0±2.7 mmHg at 25°C |