Pentaacetyl Geniposide
[CAS# 49776-64-9]

Identification

• Name: Pentaacetyl Geniposide
• Synonyms: Methyl (1S,4As,7As)-7-(Acetoxymethyl)-1-[(2S,3R,4S,5R,6R)-3,4,5-Triacetoxy-6-(Acetoxymethyl)Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylate; (1S,4As,7As)-7-(Acetoxymethyl)-1-[[(2S,3R,4S,5R,6R)-3,4,5-Triacetoxy-6-(Acetoxymethyl)-2-Tetrahydropyranyl]Oxy]-1,4A,5,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylic Acid Methyl Ester; (1S,4As,7As)-7-(Acetoxymethyl)-1-[(2S,3R,4S,5R,6R)-3,4,5-Triacetoxy-6-(Acetoxymethyl)Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₇H₃₄O₁₅
• Molecular Weight: 598.56
• CAS Registry Number: 49776-64-9
• SMILES: [C@@H]13[C@@H](C(=CO[C@H]1O[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)COC(=O)C)C(OC)=O)CC=C3COC(=O)C
• InChI: 1S/C27H34O15/c1-12(28)35-9-17-7-8-18-19(25(33)34-6)10-37-26(21(17)18)42-27-24(40-16(5)32)23(39-15(4)31)22(38-14(3)30)20(41-27)11-36-13(2)29/h7,10,18,20-24,26-27H,8-9,11H2,1-6H3/t18-,20-,21-,22-,23+,24-,26+,27+/m1/s1
• InChIKey: LKXMXUPYWQQHNY-JPGAYEHLSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 639.951°C at 760 mmHg (Cal.)
• Flash point: 267.503°C (Cal.)