Delphinidin 3-glucoside

CAS Registry Number®

6906-38-3
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CAS Name

Delphinidin 3-glucoside

Molecular Formula

C21H21O12.Cl

Cite this Page

Delphinidin 3-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=6906-38-3 (retrieved 2024-04-30) (CAS RN: 6906-38-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20O12.ClH/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7;/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27);1H/t15-,17-,18+,19-,21-;/m1./s1

InChIKey

InChIKey=ZJWIIMLSNZOCBP-BTTVDUMLSA-N

SMILES

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

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3O)C(=[O+]C2C1)C=4C=C(O)C(O)=C(O)C4

Other Names for this Substance

  • 1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1)
  • Flavylium, 3-(β-D-glucopyranosyloxy)-3′,4′,5,5′,7-pentahydroxy-, chloride
  • 1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride
  • Myrtillin
  • Delphinidin 3-monoglucoside

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Deleted or Replaced CAS Registry Numbers

1400-45-9, 1400-47-1, 27554-24-1, 30373-84-3, 30965-59-4, 908574-76-5

CAS INSIGHTSTM
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