Sophoraflavoside II
[CAS# 147540-80-5]

Identification

• Name: Sophoraflavoside II
• Synonyms: 6-[[11-Carboxy-9-Hydroxy-4-(Hydroxymethyl)-4,6A,6B,8A,11,14B-Hexamethyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl]Oxy]-5-[4,5-Dihydroxy-6-(Hydroxymethyl)-2-(2,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-3-Yl)Oxy-Tetrahydropyran-3-Yl]Oxy-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; 6-[[11-Carboxy-9-Hydroxy-4-(Hydroxymethyl)-4,6A,6B,8A,11,14B-Hexamethyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl]Oxy]-5-[[4,5-Dihydroxy-6-(Hydroxymethyl)-2-[(2,4,5-Trihydroxy-6-Methyl-3-Tetrahydropyranyl)Oxy]-3-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; 6-[(11-Carboxy-9-Hydroxy-4,6A,6B,8A,11,14B-Hexamethyl-4-Methylol-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy]-5-[4,5-Dihydroxy-6-Methylol-2-(2,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-3-Yl)Oxy-Tetrahydropyran-3-Yl]Oxy-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₄₈H₇₆O₂₀
• Molecular Weight: 973.12
• CAS Registry Number: 147540-80-5
• SMILES: C(O)C5(C4C(C1C(C2(C(=CC1)C3C(CC2)(C(O)CC(C3)(C(=O)O)C)C)C)(CC4)C)(CCC5OC6OC(C(O)C(O)C6OC7C(OC(C(O)C7O)CO)OC8C(O)C(O)C(OC8O)C)C(=O)O)C)C
• InChI: 1S/C48H76O20/c1-20-28(52)30(54)35(39(60)63-20)68-40-36(31(55)29(53)23(18-49)64-40)66-37-33(57)32(56)34(38(58)59)67-41(37)65-27-11-12-45(4)24(46(27,5)19-50)10-13-48(7)25(45)9-8-21-22-16-43(2,42(61)62)17-26(51)44(22,3)14-15-47(21,48)6/h8,20,22-37,39-41,49-57,60H,9-19H2,1-7H3,(H,58,59)(H,61,62)
• InChIKey: SJVKMVMKJONZFJ-UHFFFAOYSA-N

Properties

• Density: 1.474g/cm³ (Cal.)
• Boiling point: 1091.365°C at 760 mmHg (Cal.)
• Flash point: 311.554°C (Cal.)