Malvidin 3-O-glucoside-4-vinylguaiacol

CAS Registry Number®

388089-40-5

CAS Name

Malvidin 3-O-glucoside-4-vinylguaiacol

Molecular Formula

C32H31O14

Cite this Page

Malvidin 3-O-glucoside-4-vinylguaiacol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=388089-40-5 (retrieved 2024-12-25) (CAS RN: 388089-40-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H30O14/c1-40-19-6-13(4-5-17(19)35)18-11-16-25-20(43-18)9-15(34)10-21(25)44-30(14-7-22(41-2)26(36)23(8-14)42-3)31(16)46-32-29(39)28(38)27(37)24(12-33)45-32/h4-11,24,27-29,32-33,37-39H,12H2,1-3H3,(H2-,34,35,36)/p+1/t24-,27-,28+,29-,32+/m1/s1

InChIKey

InChIKey=QARRSDFIUQJIHX-QPZIMESWSA-O

SMILES

O(C=1C2=C3C(=[O+]C1C4=CC(OC)=C(O)C(OC)=C4)C=C(O)C=C3OC(=C2)C5=CC(OC)=C(O)C=C5)[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

Canonical SMILES

OC=1C=C2OC(=CC3=C(OC4OC(CO)C(O)C(O)C4O)C(=[O+]C(C1)=C23)C=5C=C(OC)C(O)=C(OC)C5)C=6C=CC(O)=C(OC)C6

Other Names for this Substance

  • Pyrano[4,3,2-de]-1-benzopyrylium, 3-(β-D-glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-
  • 3-(β-D-Glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)pyrano[4,3,2-de]-1-benzopyrylium
  • Malvidin 3-O-glucoside-4-vinylguaiacol

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.