Delphinidin 3-O-β-glucoside
CAS Registry Number®
50986-17-9
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CAS Name
Delphinidin 3-O-β-glucosideMolecular Formula
C21H21O12Cite this Page
Delphinidin 3-O-β-glucoside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?ref=50986-17-9 (retrieved ) (CAS RN: 50986-17-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H20O12/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)/p+1/t15-,17-,18+,19-,21-/m1/s1
InChIKey
InChIKey=XENHPQQLDPAYIJ-PEVLUNPASA-O
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
Canonical SMILES
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)-
- 3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium
- Delphinidin 3-glucoside
- Delphinidin 3-O-β-glucoside
- Delphinidin 3-O-glucoside
Deleted or Replaced CAS Registry Numbers
104974-27-8, 122710-99-0, 233584-21-9, 879560-97-1, 908574-71-0
