English name: Puerarin
CAS number: 3681-99-0
Molecular formula: C21H20O9
Molecular weight: 416.38
EINECS number: 609-296-1
MDL No. : MFCD00063399
Stats
Melting point 187-189°C
Boiling point 688.0±55.0 °C(Predicted)
Density 1.614± 0.06g /cm3(Predicted)
Storage conditions 2-8°C
Solubility DMSO (Slightly), Methanol (Slightly)
Morphology Powder
Predicted Acidity coefficient (pKa)6.46±0.20
Color White to Off-white
Soluble in DMSO or DMF. Slightly soluble in water or ethanol
Maximum wavelength (λmax)303nm(MeOH)(lit.)
BRN64198
InChIKeyHKEAFJYKMMKDOR-NCHCSYJDSA-N
SMILESOC1 = CC = C2C (C (C3C = CC (O) = CC = 3) = COC2 = C1 @ H [C] 1 @ @ H [C] (@ @ H [C] (O) (O) @ H [C] [C @ @ H] (CO) O1) O) = O | & 1:18, 19,20,22,24 r |
LogP0.408 (est)
CAS DataBase 3681-99-0(CAS DataBase Reference)