SCIADOPITYSIN

The 4H-1-Benzopyran-4-one,5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)-, with CAS registry number 521-34-6, belongs to the following product category: Tri-substituted Flavones. It has the systematic name of 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)-4H-chromen-4-one. And the chemical formula of this chemical is C₃₃H₂₄O₁₀. What's more, its EINECS is 208-311-5.

Physical properties of 4H-1-Benzopyran-4-one,5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)-: (1)ACD/LogP: 5.31; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 5.1; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 3952.07; (6)ACD/BCF (pH 7.4): 8.26; (7)ACD/KOC (pH 5.5): 11388.55; (8)ACD/KOC (pH 7.4): 23.81; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 107.98 Å²; (13)Index of Refraction: 1.683; (14)Molar Refractivity: 152.43 cm³; (15)Molar Volume: 401.6 cm³; (16)Polarizability: 60.42×10^-24cm³; (17)Surface Tension: 64.7 dyne/cm; (18)Density: 1.445 g/cm³; (19)Flash Point: 276.2 °C; (20)Enthalpy of Vaporization: 126.2 kJ/mol; (21)Boiling Point: 839.6 °C at 760 mmHg; (22)Vapour Pressure: 1.7E-29 mmHg at 25°C.

Preparation: this chemical can be prepared by C₄₀H₃₈O₁₀. This reaction will need reagent BCl₃ and solvent CH₂Cl₂. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C(/Oc2cc(OC)cc(O)c12)c6cc(c5c(O)cc(O)c3c5O/C(=C\C3=O)c4ccc(OC)cc4)c(OC)cc6
(2)InChI: InChI=1/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3
(3)InChIKey: YCXRBCHEOFVYEN-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3
(5)Std. InChIKey: YCXRBCHEOFVYEN-UHFFFAOYSA-N