Malvidin 3,5-diglucoside

CAS Registry Number®

16727-30-3

CAS Name

Malvidin 3,5-diglucoside

Molecular Formula

C29H35O17.Cl

Cite this Page

Malvidin 3,5-diglucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16727-30-3 (retrieved 2024-11-21) (CAS RN: 16727-30-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H34O17.ClH/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28;/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33);1H/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-;/m1./s1

InChIKey

InChIKey=RHKJIVJBQJXLBY-FTIBDFQESA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2)C4=CC(OC)=C(O)C(OC)=C4)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(CO)C(O)C(O)C4O)C(=[O+]C3C1)C=5C=C(OC)C(O)=C(OC)C5

Other Names for this Substance

  • 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride (1:1)
  • Malvin
  • 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride
  • Malvidin 3,5-diglucoside
  • Malvoside

View All

Deleted or Replaced CAS Registry Numbers

28675-66-3, 55059-33-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration