7-[[2-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranosyl]Oxy]-3,5-Dihydroxy-2-(4-Hydroxyphenyl)-4H-Benzopyran-4-One
[CAS# 17353-03-6]

Identification

• Name: 7-[[2-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranosyl]Oxy]-3,5-Dihydroxy-2-(4-Hydroxyphenyl)-4H-Benzopyran-4-One
• Synonyms: 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-3,5-Dihydroxy-2-(4-Hydroxyphenyl)Chromen-4-One; 7-[[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-3,5-Dihydroxy-2-(4-Hydroxyphenyl)-4-Chromenone; 7-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-3,5-Dihydroxy-2-(4-Hydroxyphenyl)Chromone
• Molecular Formula: C₂₇H₃₀O₁₅
• Molecular Weight: 594.53
• CAS Registry Number: 17353-03-6 (31921-42-3)
• EINECS: 241-377-3
• SMILES: [C@@H]4([C@H](OC3=CC1=C(C(C(=C(O1)C2=CC=C(C=C2)O)O)=O)C(=C3)O)O[C@@H]([C@@H](O)[C@@H]4O)CO)O[C@H]5[C@@H]([C@H](O)[C@H]([C@@H](O5)C)O)O
• InChI: 1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/s1
• InChIKey: ZEJXENDZTYVXDP-CSJHBIPPSA-N

Properties

• Density: 1.762g/cm³ (Cal.)
• Boiling point: 934.727°C at 760 mmHg (Cal.)
• Flash point: 310.468°C (Cal.)