Sodium 2-(3,4-Dihydroxyphenyl)-4-Oxo-7-Sulfooxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxychromen-5-Olate
[CAS# 108916-86-5]

Identification

• Name: Sodium 2-(3,4-Dihydroxyphenyl)-4-Oxo-7-Sulfooxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxychromen-5-Olate
• Synonyms: Sodium 2-(3,4-Dihydroxyphenyl)-4-Oxo-7-Sulfooxy-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-5-Olate; Sodium 2-(3,4-Dihydroxyphenyl)-4-Oxo-7-Sulfooxy-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]-5-Chromenolate; Sodium 2-(3,4-Dihydroxyphenyl)-4-Keto-7-Sulfoxy-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-5-Olate
• Molecular Formula: C₂₇H₂₉NaO₁₉S
• Molecular Weight: 712.56
• CAS Registry Number: 108916-86-5
• SMILES: [C@@H]4(OC2=C(OC1=CC(=CC(=C1C2=O)[O-])O[S](=O)(=O)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.[Na+]
• InChI: 1S/C27H30O19S.Na/c1-8-17(31)20(34)22(36)26(42-8)41-7-15-18(32)21(35)23(37)27(44-15)45-25-19(33)16-13(30)5-10(46-47(38,39)40)6-14(16)43-24(25)9-2-3-11(28)12(29)4-9;/h2-6,8,15,17-18,20-23,26-32,34-37H,7H2,1H3,(H,38,39,40);/q;+1/p-1/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;/m0./s1
• InChIKey: MBAMAVJZWODBKH-ZAAWVBGYSA-M