(4aS,5R,6S)-5-Ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxy-4,4A,5,6-Tetrahydro-3H-Pyrano[5,4-c]Pyran-1-One
[CAS# 151140-40-8]

Identification

• Name: (4aS,5R,6S)-5-Ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxy-4,4A,5,6-Tetrahydro-3H-Pyrano[5,4-c]Pyran-1-One
• Synonyms: (4As,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-5-Vinyl-4,4A,5,6-Tetrahydro-3H-Pyrano[5,4-C]Pyran-1-One; (4As,5R,6S)-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxy]-5-Vinyl-4,4A,5,6-Tetrahydro-3H-Pyrano[5,4-C]Pyran-1-One; (4As,5R,6S)-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-5-Vinyl-4,4A,5,6-Tetrahydro-3H-Pyrano[5,4-C]Pyran-1-One
• Molecular Formula: C₂₂H₃₂O₁₄
• Molecular Weight: 520.49
• CAS Registry Number: 151140-40-8
• SMILES: [C@H]34[C@H]([C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)OC=C3C(OCC4)=O)C=C
• InChI: 1S/C22H32O14/c1-2-8-9-3-4-31-19(30)10(9)6-32-20(8)36-22-18(29)16(27)14(25)12(35-22)7-33-21-17(28)15(26)13(24)11(5-23)34-21/h2,6,8-9,11-18,20-29H,1,3-5,7H2/t8-,9+,11-,12-,13-,14-,15+,16+,17-,18-,20+,21-,22+/m1/s1
• InChIKey: LILOLDYAQAFVGN-DFOQSZTGSA-N

Properties

• Density: 1.6g/cm³ (Cal.)
• Boiling point: 827.857°C at 760 mmHg (Cal.)
• Flash point: 282.31°C (Cal.)