Malvidin 3-(6-O-acetylglucoside)

CAS Registry Number®

101072-66-6

CAS Name

Malvidin 3-(6-O-acetylglucoside)

Molecular Formula

C25H27O13.Cl

Cite this Page

Malvidin 3-(6-O-acetylglucoside).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=101072-66-6 (retrieved 2024-11-24) (CAS RN: 101072-66-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H26O13.ClH/c1-10(26)35-9-19-21(30)22(31)23(32)25(38-19)37-18-8-13-14(28)6-12(27)7-15(13)36-24(18)11-4-16(33-2)20(29)17(5-11)34-3;/h4-8,19,21-23,25,30-32H,9H2,1-3H3,(H2-,27,28,29);1H/t19-,21-,22+,23-,25-;/m1./s1

InChIKey

InChIKey=CSYJFZJVLTZWHG-OXEJHQNOSA-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](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O.[Cl-]

Canonical SMILES

[Cl-].O=C(OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=C(OC)C(O)=C(OC)C4)C(O)C(O)C1O)C

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride (1:1)
  • 1-Benzopyrylium, 3-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride
  • Malvidin 3-(6-O-acetylglucoside)
  • Malvidin 3-(6′′-O-acetyl)-glucoside
  • Malvidin 3-O-(6-O-acetyl)-glucoside

Deleted or Replaced CAS Registry Numbers

129085-34-3, 140674-87-9, 151886-68-9, 164584-49-0

CAS INSIGHTSTM
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