daphnoretin

The CAS register number of Daphnoretin is 2034-69-7. It also can be called as Coumarin, 7-hydroxy-6-methoxy-3,7'-oxydi- and the IUPAC name about this chemical is 7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one. The molecular formula about this chemical is C₁₉H₁₂O₇ and the molecular weight is 352.297. Classification code about this chemical are Mutation data and Natural Product. This chemical can be isolated from the whole plant Wikstroemia indica.

Physical properties about Daphnoretin are: (1)ACD/LogP: 3.33; (2)ACD/LogD (pH 5.5): 3.32; (3)ACD/LogD (pH 7.4): 3.08; (4)ACD/BCF (pH 5.5): 196.48; (5)ACD/BCF (pH 7.4): 113.45; (6)ACD/KOC (pH 5.5): 1520.58; (7)ACD/KOC (pH 7.4): 877.98; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 80.29Ų; (12)Index of Refraction: 1.674; (13)Molar Refractivity: 88.13 cm³; (14)Molar Volume: 234.6 cm³; (15)Polarizability: 34.93x10^-24cm³; (16)Surface Tension: 66.5 dyne/cm; (17)Enthalpy of Vaporization: 97.88 kJ/mol; (18)Boiling Point: 639.6 °C at 760 mmHg; (19)Vapour Pressure: 5.92E-17 mmHg at 25°C.

Uses of Daphnoretin: it can be used to produce Daphnoretin-acetat with acetic acid anhydride at temperature of 100 ℃. This reaction will need solvent pyridine with reaction time of 6 hours. The yield is about 75%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/4Oc3c(ccc(O\C1=C\c2c(OC1=O)cc(O)c(OC)c2)c3)\C=C\4
(2)InChI: InChI=1/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
(3)InChIKey: JRHMMVBOTXEHGJ-UHFFFAOYAG
(4)Std. 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
(5)Std. InChIKey: JRHMMVBOTXEHGJ-UHFFFAOYSA-N