Methylophiopogonone A

CAS	74805-90-6
Synonyms	3-(1,3-Benzodioxol-5-ylmethyl)-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one
IUPAC Name	3-(1,3-Benzodioxol-5-ylmethyl)-5,7-dihydroxy-6,8-dimethylchromen-4-one
Molecular Weight	340.33
Molecular Formula	C19H16O6
Canonical SMILES	CC1=C(C(=C2C(=C1O)C(=O)C(=CO2)CC3=CC4=C(C=C3)OCO4)C)O
InChI	InChI=1S/C19H16O6/c1-9-16(20)10(2)19-15(17(9)21)18(22)12(7-23-19)5-11-3-4-13-14(6-11)25-8-24-13/h3-4,6-7,20-21H,5,8H2,1-2H3
InChI Key	AUTZLTCWRDPAPV-UHFFFAOYSA-N
Boiling Point	573.6±50.0 °C
Purity	98%
Density	1.454±0.06 g/ml
pKa	7.27±0.20
Appearance	Powder