6-(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-Benzopyran-4-one
[CAS# 108657-24-5]

Identification

• Name: 6-(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-Benzopyran-4-one
• Synonyms: 6-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]-5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-Chromen-4-One; 6-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]-5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-4-Chromenone; 6-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-Methylol-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]-5-Hydroxy-2-(4-Hydroxyphenyl)-7-Methoxy-Chromone
• Molecular Formula: C₂₈H₃₂O₁₅
• Molecular Weight: 608.55
• CAS Registry Number: 108657-24-5
• SMILES: [C@H]2(O[C@@H]([C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@H](O)[C@H]2O)CO)C4=C(OC)C=C3OC(=CC(=O)C3=C4O)C5=CC=C(O)C=C5
• InChI: 1S/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)21(34)19(14)27-24(37)23(36)26(17(9-30)41-27)43-28-25(38)22(35)20(33)16(8-29)42-28/h2-7,16-17,20,22-31,33-38H,8-9H2,1H3/t16-,17-,20-,22+,23-,24-,25-,26-,27+,28+/m1/s1
• InChIKey: LTSHFAAMUZRJGB-OOAZWYKYSA-N

Properties

• Density: 1.723g/cm³ (Cal.)
• Boiling point: 901.408°C at 760 mmHg (Cal.)
• Flash point: 296.669°C (Cal.)