Medicagenic Acid-3-O-Glucopyranoside
[CAS# 49792-23-6]

Identification

• Name: Medicagenic Acid-3-O-Glucopyranoside
• Synonyms: (2S,3R,6Ar,6Bs,8As,12Ar,14Ar,14Br)-2-Hydroxy-4,6A,6B,11,11,14B-Hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicene-4,8A-Dicarboxylic Acid; (2S,3R,6Ar,6Bs,8As,12Ar,14Ar,14Br)-2-Hydroxy-4,6A,6B,11,11,14B-Hexamethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicene-4,8A-Dicarboxylic Acid; (2S,3R,6Ar,6Bs,8As,12Ar,14Ar,14Br)-2-Hydroxy-4,6A,6B,11,11,14B-Hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicene-4,8A-Dicarboxylic Acid
• Molecular Formula: C₃₆H₅₆O₁₁
• Molecular Weight: 664.83
• CAS Registry Number: 49792-23-6
• SMILES: [C@@]34([C@@H]([C@@]2(C(C([C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H](O)C2)(C(=O)O)C)CC3)C)CC=C5[C@]4(CC[C@@]6([C@@H]5CC(CC6)(C)C)C(=O)O)C)C
• InChI: 1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21-,22-,23?,24-,25+,26-,27+,28+,32-,33-,34-,35?,36+/m1/s1
• InChIKey: XCHARIIIZLLEBL-GHKSOYFMSA-N

Properties

• Density: 1.355g/cm³ (Cal.)
• Boiling point: 815.631°C at 760 mmHg (Cal.)
• Flash point: 249.872°C (Cal.)