Sophoraflavoside IV
[CAS# 147666-63-5]

Identification

• Name: Sophoraflavoside IV
• Synonyms: 6-[[11-Carboxy-9-[4,5-Dihydroxy-3-[2,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-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)-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid; 6-[[11-Carboxy-9-[[4,5-Dihydroxy-3-[[2,4,5-Trihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-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)-3-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-2-Tetrahydropyrancarboxylic Acid; 6-[[11-Carboxy-9-[4,5-Dihydroxy-3-(2,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-3-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-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-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₅₉H₉₄O₂₉
• Molecular Weight: 1267.37
• CAS Registry Number: 147666-63-5
• SMILES: C(O)C7(C6C(C1C(C2(C(=CC1)C5C(CC2)(C(OC3OCC(O)C(O)C3OC4C(O)C(O)C(OC4O)CO)CC(C5)(C(=O)O)C)C)C)(CC6)C)(CCC7OC8OC(C(O)C(O)C8OC9OC(C(O)C(O)C9OC%10OC(C(O)C(O)C%10O)C)CO)C(=O)O)C)C
• InChI: 1S/C59H94O29/c1-22-32(64)36(68)41(73)49(80-22)87-45-38(70)35(67)27(19-61)82-51(45)88-46-40(72)39(71)42(47(74)75)86-52(46)83-30-11-12-56(4)28(57(30,5)21-62)10-13-59(7)29(56)9-8-23-24-16-54(2,53(77)78)17-31(55(24,3)14-15-58(23,59)6)84-50-44(33(65)25(63)20-79-50)85-43-37(69)34(66)26(18-60)81-48(43)76/h8,22,24-46,48-52,60-73,76H,9-21H2,1-7H3,(H,74,75)(H,77,78)
• InChIKey: LPBDFSJDRZMMQJ-UHFFFAOYSA-N

Properties

• Density: 1.562g/cm³ (Cal.)