[(1S)-7-[(Benzoyloxy)Methyl]-1,4a,5,7aalpha-Tetrahydro-4aalpha,5alpha-Dihydroxycyclopenta[c]Pyran-1-Yl]beta-D-Glucopyranoside
[CAS 73248-91-6]

Identification

• Name: [(1S)-7-[(Benzoyloxy)Methyl]-1,4a,5,7aalpha-Tetrahydro-4aalpha,5alpha-Dihydroxycyclopenta[c]Pyran-1-Yl]beta-D-Glucopyranoside
• Synonyms: [(4As,7Ar)-1-[(2S,3R,4R,6R)-3,4,5,5,6-Pentahydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-7-Yl]Methyl Benzoate; Benzoic Acid [(4As,7Ar)-1-[[(2S,3R,4R,6R)-3,4,5,5,6-Pentahydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-7-Yl]Methyl Ester; Benzoic Acid [(4As,7Ar)-1-[(2S,3R,4R,6R)-3,4,5,5,6-Pentahydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-7-Yl]Methyl Ester
• Molecular Formula: C₂₂H₂₆O₁₁
• Molecular Weight: 466.44
• CAS Registry Number: 73248-91-6
• SMILES: [C@@H]13[C@@H](CC=C1COC(=O)C2=CC=CC=C2)C=COC3O[C@H]4O[C@@](O)(C(O)(O)[C@H](O)[C@H]4O)CO
• InChI: 1S/C22H26O11/c23-11-21(27)22(28,29)17(25)16(24)20(33-21)32-19-15-12(8-9-30-19)6-7-14(15)10-31-18(26)13-4-2-1-3-5-13/h1-5,7-9,12,15-17,19-20,23-25,27-29H,6,10-11H2/t12-,15+,16+,17+,19?,20-,21+/m0/s1
• InChIKey: BDCUIWGZYJDTJI-DCEFTQDJSA-N

Properties

• Density: 1.601g/cm³ (Cal.)
• Boiling point: 691.004°C at 760 mmHg (Cal.)
• Flash point: 238.953°C (Cal.)