Cyanidin 3-(6-O-acetylglucoside)

CAS Registry Number®

133080-31-6

CAS Name

Cyanidin 3-(6-O-acetylglucoside)

Molecular Formula

C23H23O12.Cl

Cite this Page

Cyanidin 3-(6-O-acetylglucoside).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=133080-31-6 (retrieved 2024-11-23) (CAS RN: 133080-31-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H22O12.ClH/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10;/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28);1H/t18-,19-,20+,21-,23-;/m1./s1

InChIKey

InChIKey=UVWCYPBVABTBRN-LXJSZTITSA-N

SMILES

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

Canonical SMILES

[Cl-].O=C(OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=C(O)C4)C(O)C(O)C1O)C

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride (1:1)
  • 1-Benzopyrylium, 3-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride
  • Cyanidin 3-(6-O-acetylglucoside)
  • Cyanidin 3-O-(6-O-acetylglucoside)

Deleted or Replaced CAS Registry Numbers

140674-84-6, 312297-82-8, 151886-66-7, 164584-46-7

CAS INSIGHTSTM
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