(2S)-2-(3-benzyloxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-chroman-4-one
[CAS# 94349-33-4]

Identification

• Name: (2S)-2-(3-benzyloxy-4-methoxy-phenyl)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-chroman-4-one
• Synonyms: (S)-7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-[4-methoxy-3-(phenylmethoxy)phenyl]-4H-1-benzopyran-4-one
• Molecular Formula: C₃₅H₄₀O₁₅
• Molecular Weight: 700.68
• CAS Registry Number: 94349-33-4
• EINECS: 305-150-3
• SMILES: COc2ccc(cc2OCc1ccccc1)[C@@H]3CC(=O)c4c(O)cc(cc4O3)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O
• InChI: 1S/C35H40O15/c1-16-28(39)30(41)32(43)34(46-16)50-33-31(42)29(40)26(14-36)49-35(33)47-19-11-20(37)27-21(38)13-23(48-25(27)12-19)18-8-9-22(44-2)24(10-18)45-15-17-6-4-3-5-7-17/h3-12,16,23,26,28-37,39-43H,13-15H2,1-2H3/t16-,23-,26+,28-,29+,30+,31-,32+,33+,34-,35+/m0/s1
• InChIKey: KKIMSRDEQTVCMY-ZJSYQPLQSA-N

Properties

• Density: 1.55g/cm³ (Cal.)
• Boiling point: 956.416°C at 760 mmHg (Cal.)
• Flash point: 301.334°C (Cal.)