3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-Dihydroxy-6-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxymethyl]-3,4,5-Trihydroxyoxan-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychromen-4-One
[CAS# 134953-93-8]

Identification

• Name: 3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-Dihydroxy-6-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxymethyl]-3,4,5-Trihydroxyoxan-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychromen-4-One
• Synonyms: 3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-Dihydroxy-6-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-Chromen-4-One; 3-[[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-Dihydroxy-6-Methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxymethyl]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Chromenone; 3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-Dihydroxy-6-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-Chromone
• Molecular Formula: C₃₃H₄₀O₂₁
• Molecular Weight: 772.67
• CAS Registry Number: 134953-93-8
• SMILES: [C@@H]5([C@H]([C@H](OC[C@@H]4[C@H](O)[C@@H]([C@H]([C@H](OC1=C(OC2=C(C1=O)C(=CC(=C2)O)O)C3=CC(=C(C=C3)O)O)O4)O)O)O[C@H]([C@@H]5O)C)O)O[C@H]6[C@@H]([C@@H](O)[C@@H]([C@H](O6)CO)O)O
• InChI: 1S/C33H40O21/c1-9-19(39)29(53-32-25(45)23(43)20(40)16(7-34)51-32)27(47)31(49-9)48-8-17-21(41)24(44)26(46)33(52-17)54-30-22(42)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,29,31-41,43-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,21-,23-,24-,25+,26+,27+,29+,31+,32-,33-/m0/s1
• InChIKey: XEFNBVWDOQCMSG-GJHFDJSNSA-N

Properties

• Density: 1.85g/cm³ (Cal.)
• Boiling point: 1149.085°C at 760 mmHg (Cal.)
• Flash point: 360.25°C (Cal.)