Cyanidin 3,5-di-O-glucoside

CAS Registry Number®

20905-74-2

CAS Name

Cyanidin 3,5-di-O-glucoside

Molecular Formula

C27H31O16

Cite this Page

Cyanidin 3,5-di-O-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20905-74-2 (retrieved 2024-11-22) (CAS RN: 20905-74-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1

InChIKey

InChIKey=RDFLLVCQYHQOBU-ZOTFFYTFSA-O

SMILES

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

Canonical SMILES

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=CC(O)=C(O)C5

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-
  • Flavylium, 3,5-bis(β-D-glucopyranosyloxy)-3′,4′,7-trihydroxy-
  • 2-(3,4-Dihydroxyphenyl)-3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium
  • Cyanidin 3,5-di-O-glucoside
  • Cyanidin 3-O-glucoside-5-O-glucoside

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Deleted or Replaced CAS Registry Numbers

81360-17-0, 198475-22-8

CAS INSIGHTSTM
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