3-((2-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranosyl)Oxy)-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-4H-1-Benzopyran-4-One
[CAS# 101330-77-2]

Identification

• Name: 3-((2-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranosyl)Oxy)-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-4H-1-Benzopyran-4-One
• Synonyms: 3-[(2S,3S,4S,5R,6R)-3,4-Dihydroxy-6-Methoxy-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-Chromen-4-One; 3-[[(2S,3S,4S,5R,6R)-3,4-Dihydroxy-6-Methoxy-5-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-4-Chromenone; 3-[(2S,3S,4S,5R,6R)-3,4-Dihydroxy-6-Methoxy-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-Chromone
• Molecular Formula: C₂₈H₃₂O₁₆
• Molecular Weight: 624.55
• CAS Registry Number: 101330-77-2
• SMILES: [C@@H]5(O[C@@H]4[C@@H](O)[C@H](O)[C@@H](OC2=C(OC1=CC(=CC(=C1C2=O)O)OC)C3=CC=C(O)C(=C3)O)O[C@H]4OC)O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C
• InChI: 1S/C28H32O16/c1-9-17(32)19(34)21(36)26(40-9)43-25-20(35)22(37)27(44-28(25)39-3)42-24-18(33)16-14(31)7-11(38-2)8-15(16)41-23(24)10-4-5-12(29)13(30)6-10/h4-9,17,19-22,25-32,34-37H,1-3H3/t9-,17-,19+,20-,21+,22-,25+,26-,27-,28+/m0/s1
• InChIKey: BDQAVVLZKLFTIK-KCYUVNIVSA-N

Properties

• Density: 1.699g/cm³ (Cal.)
• Boiling point: 941.877°C at 760 mmHg (Cal.)
• Flash point: 309.203°C (Cal.)