[(4aS)-4,4aalpha,5,6-Tetrahydro-5beta-Ethenyl-1-Oxo-1H,3H-Pyrano[3,4-c]Pyran-6alpha-Yl]3-O-Acetyl-2-O-(3-Hydroxybenzoyl)-beta-D-Glucopyranoside
[CAS 59193-73-6]

Identification

• Name: [(4aS)-4,4aalpha,5,6-Tetrahydro-5beta-Ethenyl-1-Oxo-1H,3H-Pyrano[3,4-c]Pyran-6alpha-Yl]3-O-Acetyl-2-O-(3-Hydroxybenzoyl)-beta-D-Glucopyranoside
• Synonyms: 3-[[(2R,3R,4S,5R,6S)-4-Acetoxy-6-[[(4As,5R,6S)-1-Oxo-5-Vinyl-4,4A,5,6-Tetrahydro-3H-Pyrano[5,4-C]Pyran-6-Yl]Oxy]-3,5-Dihydroxy-Tetrahydropyran-2-Yl]Methoxy]Benzoic Acid; 3-[[(2R,3R,4S,5R,6S)-4-Acetoxy-6-[[(4As,5R,6S)-1-Oxo-5-Vinyl-4,4A,5,6-Tetrahydro-3H-Pyrano[5,4-C]Pyran-6-Yl]Oxy]-3,5-Dihydroxy-2-Tetrahydropyranyl]Methoxy]Benzoic Acid; 3-[[(2R,3R,4S,5R,6S)-4-Acetoxy-6-[[(4As,5R,6S)-1-Keto-5-Vinyl-4,4A,5,6-Tetrahydro-3H-Pyrano[5,4-C]Pyran-6-Yl]Oxy]-3,5-Dihydroxy-Tetrahydropyran-2-Yl]Methoxy]Benzoic Acid
• Molecular Formula: C₂₅H₂₈O₁₂
• Molecular Weight: 520.49
• CAS Registry Number: 59193-73-6
• SMILES: [C@H]34[C@H]([C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](OC(=O)C)[C@H]1O)COC2=CC(=CC=C2)C(=O)O)OC=C3C(OCC4)=O)C=C
• InChI: 1S/C25H28O12/c1-3-15-16-7-8-32-23(31)17(16)10-34-24(15)37-25-20(28)21(35-12(2)26)19(27)18(36-25)11-33-14-6-4-5-13(9-14)22(29)30/h3-6,9-10,15-16,18-21,24-25,27-28H,1,7-8,11H2,2H3,(H,29,30)/t15-,16+,18-,19-,20-,21+,24+,25+/m1/s1
• InChIKey: LHLGEBVUMRLNOA-PGAAGXEPSA-N

Properties

• Density: 1.465g/cm³ (Cal.)
• Boiling point: 760.168°C at 760 mmHg (Cal.)
• Flash point: 256.476°C (Cal.)