Pelargonidin 3-glucoside
CAS Registry Number®
18466-51-8
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CAS Name
Pelargonidin 3-glucosideMolecular Formula
C21H21O10.ClCite this Page
Pelargonidin 3-glucoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?ref=18466-51-8 (retrieved ) (CAS RN: 18466-51-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H20O10.ClH/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);1H/t16-,17-,18+,19-,21-;/m1./s1
InChIKey
InChIKey=CAHGSEFWVUVGGL-UBNZBFALSA-N
SMILES
O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC=C(O)C=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O.[Cl-]
Canonical SMILES
[Cl-].OC=1C=CC(=CC1)C2=[O+]C=3C=C(O)C=C(O)C3C=C2OC4OC(CO)C(O)C(O)C4O
Other Names for this Substance
- 1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, chloride (1:1)
- Callistephin
- 1-Benzopyrylium, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, chloride
- Pelargonidin 3-β-D-glucopyranoside
- Pelargonidin 3-monoglucoside
Deleted or Replaced CAS Registry Numbers
100432-94-8, 29008-78-4, 29355-09-7, 30965-55-0
