Sophoraflavoside III
[CAS# 147666-62-4]

Identification

• Name: Sophoraflavoside III
• Synonyms: 6-[[11-Carboxy-4-(Hydroxymethyl)-4,6A,6B,8A,11,14B-Hexamethyl-9-(4,5,6-Trihydroxytetrahydropyran-2-Yl)Oxy-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-4-(Hydroxymethyl)-4,6A,6B,8A,11,14B-Hexamethyl-9-[(4,5,6-Trihydroxy-2-Tetrahydropyranyl)Oxy]-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-4,6A,6B,8A,11,14B-Hexamethyl-4-Methylol-9-(4,5,6-Trihydroxytetrahydropyran-2-Yl)Oxy-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: C₅₃H₈₄O₂₄
• Molecular Weight: 1105.23
• CAS Registry Number: 147666-62-4
• SMILES: C(O)C6(C5C(C1C(C2(C(=CC1)C4C(CC2)(C(OC3OC(O)C(O)C(O)C3)CC(C4)(C(=O)O)C)C)C)(CC5)C)(CCC6OC7OC(C(O)C(O)C7OC8C(OC(C(O)C8O)CO)OC9C(O)C(O)C(OC9O)C)C(=O)O)C)C
• InChI: 1S/C53H84O24/c1-21-31(57)34(60)39(44(67)70-21)77-45-40(35(61)33(59)25(19-54)71-45)75-41-37(63)36(62)38(42(64)65)76-46(41)73-28-11-12-50(4)26(51(28,5)20-55)10-13-53(7)27(50)9-8-22-23-17-48(2,47(68)69)18-29(49(23,3)14-15-52(22,53)6)72-30-16-24(56)32(58)43(66)74-30/h8,21,23-41,43-46,54-63,66-67H,9-20H2,1-7H3,(H,64,65)(H,68,69)
• InChIKey: UZUDYISDRMHJQH-UHFFFAOYSA-N

Properties

• Density: 1.516g/cm³ (Cal.)