Petunidin 3-rutinoside

Catalog No. :
ACKKNN224
CAS No. :
39824-84-5
Molecular Formula :
C28H33ClO16
Molecular Weight :
661.01

IUPAC Name:2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride

Petunidin 3-rutinoside structure diagram
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Product Information

Product NamePetunidin 3-rutinoside
IUPAC Name2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
Molecular FormulaC28H33ClO16
Molecular Weight661.01
SMILESOC1=CC(O)=CC2=C1C=C(O[C@@H]3O[C@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@H]3O)C(C5=CC(OC)=C(O)C(O)=C5)=[O+]2.[Cl-]
InChI KeyUXLIZWVKBBZVEQ-JSAVZNNHSA-N
Synonym1-Benzopyrylium, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-, chloride (1:1);Petunidin 3-rutinoside
CAS No.39824-84-5

Synthetic Route by SureRoute

1. ACKKNN224 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACKKNN224 route product structure diagram
    ACKKNN22439824-84-5
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2. ACKKNN224 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACKKNN224 route product structure diagram
    ACKKNN22439824-84-5
Inquiry

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