3-[[6-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranosyl]Oxy]-6-[(Diethylamino)Methyl]-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4H-1-Benzopyran-4-One
[CAS# 60619-55-8]

Identification

• Name: 3-[[6-O-(6-Deoxy-alpha-L-Mannopyranosyl)-beta-D-Glucopyranosyl]Oxy]-6-[(Diethylamino)Methyl]-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4H-1-Benzopyran-4-One
• Synonyms: 6-(Diethylaminomethyl)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 6-(Diethylaminomethyl)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 6-(Diethylaminomethyl)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Chromone
• Molecular Formula: C₃₂H₄₁NO₁₆
• Molecular Weight: 695.67
• CAS Registry Number: 60619-55-8
• EINECS: 262-332-4
• SMILES: [C@@H]4(OC2=C(OC1=CC(=C(C(=C1C2=O)O)CN(CC)CC)O)C3=CC=C(O)C(=C3)O)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C
• InChI: 1S/C32H41NO16/c1-4-33(5-2)10-14-16(35)9-18-20(22(14)38)24(40)30(29(47-18)13-6-7-15(34)17(36)8-13)49-32-28(44)26(42)23(39)19(48-32)11-45-31-27(43)25(41)21(37)12(3)46-31/h6-9,12,19,21,23,25-28,31-32,34-39,41-44H,4-5,10-11H2,1-3H3/t12-,19+,21-,23+,25+,26-,27+,28+,31+,32-/m0/s1
• InChIKey: UPTFTWONNQNOMG-JRXLSPJQSA-N

Properties

• Desity: 1.656g/cm³ (Cal.)
• Boiling point: 983.781°C at 760 mmHg (Cal.)
• Flash point: 548.771°C (Cal.)