(1S)-7-[(Benzoyloxy)Methyl]-1,4aalpha,5,7aalpha-Tetrahydro-5alpha-Hydroxycyclopenta[c]Pyran-1-Yl beta-D-Glucopyranoside
[CAS# 55785-60-9]

Identification

• Name: (1S)-7-[(Benzoyloxy)Methyl]-1,4aalpha,5,7aalpha-Tetrahydro-5alpha-Hydroxycyclopenta[c]Pyran-1-Yl beta-D-Glucopyranoside
• Synonyms: [(4Ar,7As)-1-[(2S,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-7-Yl]Methyl Benzoate; Benzoic Acid [(4Ar,7As)-1-[[(2S,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-7-Yl]Methyl Ester; Benzoic Acid [(4Ar,7As)-1-[(2S,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-7-Yl]Methyl Ester
• Molecular Formula: C₂₂H₂₆O₁₀
• Molecular Weight: 450.44
• CAS Registry Number: 55785-60-9
• SMILES: [C@H]13[C@H](CC=C1COC(=O)C2=CC=CC=C2)C=COC3O[C@H]4O[C@](O)([C@@H](O)[C@H](O)[C@H]4O)CO
• InChI: 1S/C22H26O10/c23-11-22(28)18(26)16(24)17(25)21(32-22)31-20-15-12(8-9-29-20)6-7-14(15)10-30-19(27)13-4-2-1-3-5-13/h1-5,7-9,12,15-18,20-21,23-26,28H,6,10-11H2/t12-,15+,16-,17-,18+,20?,21+,22+/m1/s1
• InChIKey: NYNUGFOKJKFILZ-HKKMPEBQSA-N

Properties

• Density: 1.531g/cm³ (Cal.)
• Boiling point: 693.671°C at 760 mmHg (Cal.)
• Flash point: 241.164°C (Cal.)