Kaikasaponin III
[CAS# 115330-90-0]

Identification

• Name: Kaikasaponin III
• Synonyms: 5-[4,5-Dihydroxy-6-(Hydroxymethyl)-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-6-[(9-Hydroxy-4,4,6A,6B,8A,11,11,14B-Octamethyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy]Tetrahydropyran-2-Carboxylic Acid; 5-[[4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2-Tetrahydropyranyl]Oxy]-3,4-Dihydroxy-6-[(9-Hydroxy-4,4,6A,6B,8A,11,11,14B-Octamethyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy]-2-Tetrahydropyrancarboxylic Acid; 5-[4,5-Dihydroxy-6-Methylol-3-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-3,4-Dihydroxy-6-[(9-Hydroxy-4,4,6A,6B,8A,11,11,14B-Octamethyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl)Oxy]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₄₈H₇₈O₁₇
• Molecular Weight: 927.13
• CAS Registry Number: 115330-90-0
• SMILES: C(C7C(O)C(C(C(OC6C(OC3C(C2CCC1(C5(C(=CCC1C2(CC3)C)C4CC(C)(C)CC(C4(CC5)C)O)C)C)(C)C)OC(C(O)C6O)C(=O)O)O7)OC8C(C(O)C(C(O8)C)O)O)O)O
• InChI: 1S/C48H78O17/c1-21-29(51)31(53)35(57)40(60-21)64-37-32(54)30(52)24(20-49)61-41(37)65-38-34(56)33(55)36(39(58)59)63-42(38)62-28-13-14-46(7)25(44(28,4)5)12-15-48(9)26(46)11-10-22-23-18-43(2,3)19-27(50)45(23,6)16-17-47(22,48)8/h10,21,23-38,40-42,49-57H,11-20H2,1-9H3,(H,58,59)
• InChIKey: ISTWCKNDZOSMPU-UHFFFAOYSA-N

Properties

• Density: 1.385g/cm³ (Cal.)
• Boiling point: 994.103°C at 760 mmHg (Cal.)
• Flash point: 282.251°C (Cal.)