Delphinidin-3-diglucoside

CAS Registry Number®

59212-40-7
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CAS Name

Delphinidin-3-diglucoside

Molecular Formula

C27H31O17.Cl

Cite this Page

Delphinidin-3-diglucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59212-40-7 (retrieved 2024-09-21) (CAS RN: 59212-40-7).  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(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8;/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34);1H/t16-,17-,19-,20-,21+,22+,23-,25-,26+,27-;/m1./s1

InChIKey

InChIKey=ZBBRSINDMOHREW-LAQQQXEUSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C(O)=C3)[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO)O4.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)C(=[O+]C2C1)C=5C=C(O)C(O)=C(O)C5

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1)
  • 1-Benzopyrylium, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride
  • Delphinidol 3-sophoroside
  • Delphinidin 3-sophoroside
  • Delphinidin-3-diglucoside