Penstemonoside
[CAS# 81203-56-7]

Identification

• Name: Penstemonoside
• Synonyms: Methyl (1R,4Ar,5S,7S,7As)-5-Hydroxy-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,4A,5,6,7,7A-Hexahydrocyclopenta[D]Pyran-4-Carboxylate; (1R,4Ar,5S,7S,7As)-5-Hydroxy-7-Methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,4A,5,6,7,7A-Hexahydrocyclopenta[D]Pyran-4-Carboxylic Acid Methyl Ester; (1R,4Ar,5S,7S,7As)-5-Hydroxy-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,4A,5,6,7,7A-Hexahydrocyclopenta[D]Pyran-4-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₇H₂₆O₁₀
• Molecular Weight: 390.39
• CAS Registry Number: 81203-56-7
• SMILES: [C@H]13[C@H](C(=CO[C@@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C(OC)=O)[C@@H](O)C[C@@H]3C
• InChI: 1S/C17H26O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,8-14,16-22H,3-4H2,1-2H3/t6-,8-,9+,10-,11+,12+,13-,14+,16+,17-/m0/s1
• InChIKey: MTMCJGRBRGDLOQ-QUYPTVEMSA-N

Properties

• Density: 1.502g/cm³ (Cal.)
• Boiling point: 610.74°C at 760 mmHg (Cal.)
• Flash point: 218.623°C (Cal.)