Vomifoliol 9-O-glucopyranosyl-4-O-xylopyranosyl-6-O-glucopyranoside
[CAS# 141947-49-1]

Identification

• Name: Vomifoliol 9-O-glucopyranosyl-4-O-xylopyranosyl-6-O-glucopyranoside
• Synonyms: (4R)-4-Hydroxy-4-[(E,3S)-3-[(2R,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxybut-1-Enyl]-3,5,5-Trimethyl-Cyclohex-2-En-1-One; (4R)-4-Hydroxy-4-[(E,3S)-3-[[(2R,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]But-1-Enyl]-3,5,5-Trimethyl-1-Cyclohex-2-Enone; (4R)-4-Hydroxy-4-[(E,3S)-3-[(2R,3R,4S,5R,6R)-5-Hydroxy-6-Methylol-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxybut-1-Enyl]-3,5,5-Trimethyl-Cyclohex-2-En-1-One
• Molecular Formula: C₃₀H₄₈O₁₇
• Molecular Weight: 680.70
• CAS Registry Number: 141947-49-1
• SMILES: [C@@H]3(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]([C@H]3O)CO)O[C@H](/C=C/[C@@]4(O)C(CC(=O)C=C4C)(C)C)C
• InChI: 1S/C30H48O17/c1-12-7-14(33)8-29(3,4)30(12,41)6-5-13(2)43-28-25(47-26-22(39)18(35)15(34)11-42-26)24(20(37)17(10-32)45-28)46-27-23(40)21(38)19(36)16(9-31)44-27/h5-7,13,15-28,31-32,34-41H,8-11H2,1-4H3/b6-5+/t13-,15+,16+,17+,18-,19+,20+,21-,22+,23+,24-,25+,26-,27-,28+,30-/m0/s1
• InChIKey: FSMCENROPHFZLO-MANJNOIDSA-N

Properties

• Density: 1.528g/cm³ (Cal.)
• Boiling point: 919.754°C at 760 mmHg (Cal.)
• Flash point: 290.249°C (Cal.)