Ascorutin
[CAS# 8067-12-7]

Identification

• Name: Ascorutin
• Synonyms: (2R)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-Furan-3-One; 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; (2R)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-3-Furanone; 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; (2R)-2-[(1S)-1,2-Dihydroxyethyl]-4,5-Dihydroxy-Furan-3-One; 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: C₃₃H₃₈O₂₂
• Molecular Weight: 786.65
• CAS Registry Number: 8067-12-7
• SMILES: [C@@H]4(O[C@@H](OC2=C(OC1=CC(=CC(=C1C2=O)O)O)C3=CC(=C(O)C=C3)O)[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.[C@@H]6(OC(=C(O)C6=O)O)[C@@H](O)CO
• InChI: 1S/C27H30O16.C6H8O6/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;7-1-2(8)5-3(9)4(10)6(11)12-5/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;2,5,7-8,10-11H,1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;2-,5+/m00/s1
• InChIKey: XOTYTZRUDRWNDD-LRROQMAJSA-N

Properties

• Boiling point: 983.1°C at 760 mmHg (Cal.)
• Flash point: 325.4°C (Cal.)