The Cudraxanthone D, with the CAS registry number 96552-41-9, is also known as 9H-Xanthen-9-one, 5-(1,1-dimethyl-2-propen-1-yl)-2,3,8-trihydroxy-6-methoxy-1-(3-methyl-2-buten-1-yl)-. This chemical's molecular formula is C24H26O6 and molecular weight is 410.4596. Its systematic name is called 2,3,8-trihydroxy-6-methoxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one.
Physical properties of Cudraxanthone D: (1)ACD/LogP: 6.97; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 8; (6)Index of Refraction: 1.614; (7)Molar Refractivity: 113.949 cm3; (8)Molar Volume: 326.945 cm3; (9)Surface Tension: 52.636 dyne/cm; (10)Density: 1.255 g/cm3; (11)Flash Point: 212.602 °C; (12)Enthalpy of Vaporization: 95.276 kJ/mol; (13)Boiling Point: 620.142 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(c(O)c(O)cc3Oc2c1c(O)cc(OC)c2C(\C=C)(C)C)C\C=C(/C)C
(2)InChI: InChI=1/C24H26O6/c1-7-24(4,5)20-17(29-6)10-14(25)19-22(28)18-13(9-8-12(2)3)21(27)15(26)11-16(18)30-23(19)20/h7-8,10-11,25-27H,1,9H2,2-6H3
(3)InChIKey: UIIGEZZURHDEDK-UHFFFAOYAT
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