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Rutin trihydrate

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For Research Use Only | Not For Clinical Use
CATAPS250249753
CAS250249-75-3
Structure
MDL NumberMFCD00149490
SynonymsRutoside trihydrate, 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, hydrate (1:3), 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, trihydrate (9CI), 3-[[6-O-(6-Deoxy-α-l-mannopyranosyl)-β-d-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Rutin trihydrate
IUPAC Name2-(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-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate
Molecular Weight664.56
Molecular FormulaC27H30O16.3H2O
EC Number205-814-1
Canonical SMILESO.O.O.C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C27H30O16.3H2O/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
InChI KeyNLLBWFFSGHKUSY-JPRRWYCFSA-N
REAXYS Number75455
Accurate Mass664.1851
FormatNeat
ShippingRoom Temperature
Storage Conditions+20°C
SubcategoryPharmaceutical and veterinary compounds and metabolites
  • Verification code
CATSizeFormDescription
AP250249753-1 25MG, 100MG neat; gas chromatography (GC): suitable analytical standard Inquiry
AP250249753-2 50MG primary reference standard Inquiry
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