Delphinidin 3,5-diglucoside

CAS Registry Number®

17670-06-3

CAS Name

Delphinidin 3,5-diglucoside

Molecular Formula

C27H31O17.Cl

Cite this Page

Delphinidin 3,5-diglucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17670-06-3 (retrieved 2024-11-24) (CAS RN: 17670-06-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O17.ClH/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27;/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33);1H/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1

InChIKey

InChIKey=HKHQPWJHAKAMGC-LYQFWTOWSA-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(O)=C(O)C(O)=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(O)C(O)=C(O)C5

Other Names for this Substance

  • 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1)
  • Delphin
  • 1-Benzopyrylium, 3,5-bis(β-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride
  • Delphinidin 3,5-diglucoside
  • Diglucosyl-3,5-delphinidin

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Deleted or Replaced CAS Registry Numbers

1328-58-1, 1393-84-6, 27193-49-3, 30796-68-0, 908574-40-3

CAS INSIGHTSTM
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