Malvidin 3-glucoside

CAS Registry Number®

7228-78-6

CAS Name

Malvidin 3-glucoside

Molecular Formula

C23H25O12.Cl

Cite this Page

Malvidin 3-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7228-78-6 (retrieved 2024-11-22) (CAS RN: 7228-78-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23;/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27);1H/t17-,19-,20+,21-,23-;/m1./s1

InChIKey

InChIKey=YDIKCZBMBPOGFT-DIONPBRTSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(OC)=C(O)C(OC)=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3O)C(=[O+]C2C1)C=4C=C(OC)C(O)=C(OC)C4

Other Names for this Substance

  • 1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride (1:1)
  • Enin
  • 1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride
  • Malvidin 3-monoglucoside
  • Malvidin 3-β-D-glucopyranoside

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Deleted or Replaced CAS Registry Numbers

140674-82-4, 27576-52-9, 28986-87-0

CAS INSIGHTSTM
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