Medicago-Saponin P(1)
[CAS# 158511-57-0]

Identification

• Name: Medicago-Saponin P(1)
• Synonyms: [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]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-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-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-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl] Ester
• Molecular Formula: C₅₃H₈₆O₂₃
• Molecular Weight: 1091.25
• CAS Registry Number: 158511-57-0
• 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]9[C@]([C@H](O)C6)(C(O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)=O)CCC(C9)(C)C)C)C
• InChI: 1S/C53H86O23/c1-22-32(58)36(62)40(66)44(71-22)75-42-33(59)25(56)19-69-46(42)74-31-11-12-49(4)28(50(31,5)21-55)10-13-51(6)29(49)9-8-23-24-16-48(2,3)14-15-53(24,30(57)17-52(23,51)7)47(68)76-45-41(67)38(64)35(61)27(73-45)20-70-43-39(65)37(63)34(60)26(18-54)72-43/h8,22,24-46,54-67H,9-21H2,1-7H3/t22-,24+,25-,26+,27+,28?,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53+/m0/s1
• InChIKey: YUGFMRZWIRCERU-COSFQHNSSA-N

Properties

• Density: 1.49g/cm³ (Cal.)