(1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4a,5,6,7,7aalpha-Hexahydro-4aalpha,7alpha-Dihydroxy-7-Methylcyclopenta[c]Pyran-4-Carboxylic Acid Methyl Ester
[CAS# 27934-98-1]

Identification

• Name: (1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4a,5,6,7,7aalpha-Hexahydro-4aalpha,7alpha-Dihydroxy-7-Methylcyclopenta[c]Pyran-4-Carboxylic Acid Methyl Ester
• Synonyms: Methyl (1S,4Ar,7S,7Ar)-4A,7-Dihydroxy-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,5,6,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylate; (1S,4Ar,7S,7Ar)-4A,7-Dihydroxy-7-Methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,5,6,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylic Acid Methyl Ester; (1S,4Ar,7S,7Ar)-4A,7-Dihydroxy-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,5,6,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₇H₂₆O₁₁
• Molecular Weight: 406.39
• CAS Registry Number: 27934-98-1
• SMILES: [C@]12(C(=CO[C@H]([C@@H]1[C@](O)(C)CC2)O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O)C(=O)OC)O
• InChI: 1S/C17H26O11/c1-16(23)3-4-17(24)7(13(22)25-2)6-26-15(12(16)17)28-14-11(21)10(20)9(19)8(5-18)27-14/h6,8-12,14-15,18-21,23-24H,3-5H2,1-2H3/t8-,9-,10+,11-,12-,14+,15+,16+,17+/m1/s1
• InChIKey: RWMXKBUPLSNIJL-BHBNKKJBSA-N

Properties

• Density: 1.586g/cm³ (Cal.)
• Boiling point: 645.818°C at 760 mmHg (Cal.)
• Flash point: 230.889°C (Cal.)