Daphnoretin

CAS	2034-69-7
Structure
Synonyms	7-Hydroxy-6-methoxy-3-[(2-oxo-2H-1-benzopyran 7-yl)-oxy]-2H-1-benzopyran-2-one
IUPAC Name	7-Hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one
Molecular Weight	336.29
Molecular Formula	C19H12O6
Canonical SMILES	COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O
InChI	InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3
InChI Key	JRHMMVBOTXEHGJ-UHFFFAOYSA-N
Boiling Point	639.6±55.0 °C
Melting Point	245-246 °C
Purity	98%
Density	1.501 g/ml
pKa	7.53±0.20
Appearance	Powder