Cyanidin 3-rutinoside-5-glucoside

CAS Registry Number®

62024-14-0
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CAS Name

Cyanidin 3-rutinoside-5-glucoside

Molecular Formula

C33H41O20.Cl

Cite this Page

Cyanidin 3-rutinoside-5-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62024-14-0 (retrieved 2024-04-30) (CAS RN: 62024-14-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O20.ClH/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32;/h2-7,10,19-29,31-34,38-46H,8-9H2,1H3,(H2-,35,36,37);1H/t10-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29+,31+,32+,33+;/m0./s1

InChIKey

InChIKey=YBNGEAZRGBGUSJ-MWHWZGIKSA-N

SMILES

O(C=1C2=C([O+]=C(C(O[C@@H]3O[C@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@H]3O)=C2)C5=CC(O)=C(O)C=C5)C=C(O)C1)[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)C(=[O+]C3C1)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 1-Benzopyrylium, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1)
  • 1-Benzopyrylium, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride
  • Cyanidin 3-rutinoside-5-glucoside

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