2-[3,4-Bis(hydroxymethoxy)phenyl]-5-hydroxy-7-(hydroxymethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
[CAS# 84145-74-4]

Identification

• Name: 2-[3,4-Bis(hydroxymethoxy)phenyl]-5-hydroxy-7-(hydroxymethoxy)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
• Synonyms: 2-[3,4-bis(hydroxymethoxy)phenyl]-3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-(hydroxymethoxy)-4H-1-benzopyran-4-one
• Molecular Formula: C₃₀H₃₆O₁₉
• Molecular Weight: 700.60
• CAS Registry Number: 84145-74-4
• EINECS: 282-304-5
• SMILES: OCOc1ccc(cc1OCO)C=4Oc5cc(OCO)cc(O)c5C(=O)C=4O[C@@H]3O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]3O
• InChI: 1S/C30H36O19/c1-11-20(35)23(38)25(40)29(46-11)42-7-18-21(36)24(39)26(41)30(48-18)49-28-22(37)19-14(34)5-13(43-8-31)6-17(19)47-27(28)12-2-3-15(44-9-32)16(4-12)45-10-33/h2-6,11,18,20-21,23-26,29-36,38-41H,7-10H2,1H3/t11-,18+,20-,21+,23+,24-,25+,26+,29+,30-/m0/s1
• InChIKey: APVLIPANISQUKE-YYWMDQEHSA-N

Properties

• Density: 1.752g/cm³ (Cal.)
• Boiling point: 1059.746°C at 760 mmHg (Cal.)
• Flash point: 339.516°C (Cal.)