CAS No.20931-37-7,Beta-mangostin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20931-37-7
Name:	Beta-mangostin
Article Data:	7

Formula:	C₂₅H₂₈O₆
Molecular Weight:	424.494
Synonyms:	9H-Xanthen-9-one,1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-butenyl)- (9CI);Xanthen-9-one,1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-butenyl)- (8CI);b-Mangostin;
Density:	1.213 g/cm³
Melting Point:	175-176 °C
Boiling Point:	616.5 °C at 760 mmHg
Flash Point:	208.3 °C
Appearance:	faintly yellow powder
PSA:	89.13000
LogP:	5.39200

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Specification

The 9H-Xanthen-9-one,1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-buten-1-yl)-, with CAS registry number 20931-37-7, has the systematic name of 1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one. Besides this, it is also called Beta-mangostin. And the chemical formula of this chemical is C₂₅H₂₈O₆.

Physical properties of 9H-Xanthen-9-one,1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methyl-2-buten-1-yl)-: (1)ACD/LogP: 6.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 5.14; (5)ACD/BCF (pH 5.5): 21054.77; (6)ACD/BCF (pH 7.4): 2935.92; (7)ACD/KOC (pH 5.5): 42636.98; (8)ACD/KOC (pH 7.4): 5945.4; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 119.34 cm³; (15)Molar Volume: 349.9 cm³; (16)Polarizability: 47.31×10^-24cm³; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 208.3 °C; (20)Enthalpy of Vaporization: 94.79 kJ/mol; (21)Boiling Point: 616.5 °C at 760 mmHg; (22)Vapour Pressure: 8.64E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(Oc2c1c(O)c(c(OC)c2)C\C=C(/C)C)cc(O)c(OC)c3C\C=C(/C)C
(2)InChI: InChI=1/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
(3)InChIKey: YRKKJHJIWCRNCW-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
(5)Std. InChIKey: YRKKJHJIWCRNCW-UHFFFAOYSA-N