Ajugoside
[CAS# 52916-96-8]

Identification

• Name: Ajugoside
• Synonyms: [(4Ar)-7-Methyl-1-[(2S,3R,4R,5S,6R)-3,4,5,6-Tetrahydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4A,5,6,7A-Tetrahydro-1H-Cyclopenta[C]Pyran-7-Yl] Acetate; Acetic Acid [(4Ar)-7-Methyl-1-[[(2S,3R,4R,5S,6R)-3,4,5,6-Tetrahydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4A,5,6,7A-Tetrahydro-1H-Cyclopenta[C]Pyran-7-Yl] Ester; Acetic Acid [(4Ar)-7-Methyl-1-[(2S,3R,4R,5S,6R)-3,4,5,6-Tetrahydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4A,5,6,7A-Tetrahydro-1H-Cyclopenta[C]Pyran-7-Yl] Ester
• Molecular Formula: C₁₇H₂₆O₁₀
• Molecular Weight: 390.39
• CAS Registry Number: 52916-96-8
• SMILES: [C@@H]13C(C(OC(=O)C)(CC1)C)C(O[C@H]2O[C@@](O)([C@@H](O)[C@H](O)[C@H]2O)CO)OC=C3
• InChI: 1S/C17H26O10/c1-8(19)26-16(2)5-3-9-4-6-24-14(10(9)16)25-15-12(21)11(20)13(22)17(23,7-18)27-15/h4,6,9-15,18,20-23H,3,5,7H2,1-2H3/t9-,10?,11-,12-,13+,14?,15+,16?,17-/m1/s1
• InChIKey: GXCOLULDKUAXJY-BVZVNTKGSA-N

Properties

• Density: 1.507g/cm³ (Cal.)
• Boiling point: 572.738°C at 760 mmHg (Cal.)
• Flash point: 203.613°C (Cal.)