CAS Registry Number®
3681-99-0
CAS Name
Puerarin
Molecular Formula
C21H20O9
Molecular Mass
416.38
Compound Properties
-
Melting Point (1)
187 °C (decomp)
Source(s)
- (1) Murakami, Takao; Chemical & Pharmaceutical Bulletin, (1960), 8, 688-91, CAplus
Other Names and Identifiers
InChI
InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1
InChIKey
InChIKey=HKEAFJYKMMKDOR-VPRICQMDSA-N
SMILES
OC=1C(=C2C(C(=O)C(=CO2)C3=CC=C(O)C=C3)=CC1)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
Canonical SMILES
O=C1C(=COC=2C1=CC=C(O)C2C3OC(CO)C(O)C(O)C3O)C=4C=CC(O)=CC4
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 8-β-D-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-
- Puerarin
- 8-β-D-Glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
- NPI 031G
- Kakonein
- Daidzein 8-C-glucoside
