2-(3,4-Dihydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxyoxan-2-Yl]Oxy-5,7-Dihydroxychromen-4-One
[CAS# 129235-39-8]

Identification

• Name: 2-(3,4-Dihydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxyoxan-2-Yl]Oxy-5,7-Dihydroxychromen-4-One
• Synonyms: 2-(3,4-Dihydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5,7-Dihydroxy-Chromen-4-One; 2-(3,4-Dihydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxymethyl]-3-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5,7-Dihydroxy-4-Chromenone; 2-(3,4-Dihydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5,7-Dihydroxy-Chromone
• Molecular Formula: C₃₂H₃₈O₂₀
• Molecular Weight: 742.64
• CAS Registry Number: 129235-39-8
• SMILES: [C@@H]4([C@H](OC1=C(OC2=C(C1=O)C(=CC(=C2)O)O)C3=CC=C(O)C(=C3)O)O[C@@H]([C@@H](O)[C@@H]4O)CO[C@H]5[C@@H]([C@H](O)[C@H]([C@@H](O5)C)O)O)O[C@H]6[C@@H]([C@@H](O)[C@@H](CO6)O)O
• InChI: 1S/C32H38O20/c1-9-19(38)23(42)26(45)30(48-9)47-8-17-21(40)24(43)29(52-31-25(44)20(39)15(37)7-46-31)32(50-17)51-28-22(41)18-14(36)5-11(33)6-16(18)49-27(28)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23+,24-,25+,26+,29+,30+,31-,32-/m0/s1
• InChIKey: RLTNQOUWXZXZCS-VMMUDTPISA-N

Properties

• Density: 1.838g/cm³ (Cal.)
• Boiling point: 1099.326°C at 760 mmHg (Cal.)
• Flash point: 348.091°C (Cal.)