Pulchelloside I
[CAS# 67244-49-9]

Identification

• Name: Pulchelloside I
• Synonyms: Methyl (1S,4Ar,5R,6R,7S,7Ar)-4A,5,6-Trihydroxy-7-Methyl-1-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5,6,7,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylate; (1S,4Ar,5R,6R,7S,7Ar)-4A,5,6-Trihydroxy-7-Methyl-1-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5,6,7,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylic Acid Methyl Ester; (1S,4Ar,5R,6R,7S,7Ar)-4A,5,6-Trihydroxy-7-Methyl-1-(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: C₁₇H₂₆O₁₂
• Molecular Weight: 422.39
• CAS Registry Number: 67244-49-9
• SMILES: [C@@H]2([C@H]([C@@]1(C(=CO[C@H]([C@@H]1[C@@H]2C)OC3OC(C(C(C3O)O)O)CO)C(=O)OC)O)O)O
• InChI: 1S/C17H26O12/c1-5-8-15(29-16-12(22)11(21)10(20)7(3-18)28-16)27-4-6(14(24)26-2)17(8,25)13(23)9(5)19/h4-5,7-13,15-16,18-23,25H,3H2,1-2H3/t5-,7?,8-,9+,10?,11?,12?,13+,15-,16?,17-/m0/s1
• InChIKey: LGTHGFVYOAZGBN-NLGPCEMXSA-N

Properties

• Density: 1.657g/cm³ (Cal.)
• Boiling point: 650.144°C at 760 mmHg (Cal.)
• Flash point: 231.253°C (Cal.)