Medicago-Saponin P(2)
[CAS# 158511-58-1]

Identification

• Name: Medicago-Saponin P(2)
• Synonyms: [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] (4Ar,5R,6Ar,6As,6Br,9R,10S,12Ar,14Br)-10-[(2S,3R,4S,5S)-4,5-Dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylate; (4Ar,5R,6Ar,6As,6Br,9R,10S,12Ar,14Br)-10-[[(2S,3R,4S,5S)-4,5-Dihydroxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5-Hydroxy-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl] Ester; (4Ar,5R,6Ar,6As,6Br,9R,10S,12Ar,14Br)-10-[(2S,3R,4S,5S)-4,5-Dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-2,2,6A,6B,9,12A-Hexamethyl-9-Methylol-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₄₇H₇₆O₁₈
• Molecular Weight: 929.11
• CAS Registry Number: 158511-58-1
• SMILES: [C@@]15([C@]6(C(=CC[C@@H]1[C@@]4(C([C@@]([C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H]([C@H](O)[C@@H](O)[C@H]3O)C)CC4)(CO)C)CC5)C)[C@@H]8[C@]([C@H](O)C6)(C(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)=O)CCC(C8)(C)C)C)C
• InChI: 1S/C47H76O18/c1-21-30(52)33(55)35(57)38(61-21)64-37-31(53)24(50)19-60-40(37)63-29-11-12-43(4)26(44(29,5)20-49)10-13-45(6)27(43)9-8-22-23-16-42(2,3)14-15-47(23,28(51)17-46(22,45)7)41(59)65-39-36(58)34(56)32(54)25(18-48)62-39/h8,21,23-40,48-58H,9-20H2,1-7H3/t21-,23+,24-,25+,26?,27+,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47+/m0/s1
• InChIKey: TYZMLYSDIVGHLP-WJAOUKEHSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 988.412°C at 760 mmHg (Cal.)
• Flash point: 281.539°C (Cal.)