Pedicularioside
[CAS# 81203-55-6]

Identification

• Name: Pedicularioside
• Synonyms: Methyl (1R,4As,5S,7S,7As)-4A,5-Dihydroxy-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5,6,7,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylate; (1R,4As,5S,7S,7As)-4A,5-Dihydroxy-7-Methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5,6,7,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylic Acid Methyl Ester; (1R,4As,5S,7S,7As)-4A,5-Dihydroxy-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-5,6,7,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₇H₂₆O₁₁
• Molecular Weight: 406.39
• CAS Registry Number: 81203-55-6
• SMILES: [C@H]13[C@](O)(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/C17H26O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8-13,15-16,18-22,24H,3-4H2,1-2H3/t6-,8+,9-,10+,11+,12-,13+,15+,16-,17-/m0/s1
• InChIKey: MLTZHVBDDNOQNM-KHPHCVDESA-N

Properties

• Density: 1.581g/cm³ (Cal.)
• Boiling point: 628.816°C at 760 mmHg (Cal.)
• Flash point: 224.344°C (Cal.)