Cyanidin 3-(6-O-p-coumarylglucoside)

CAS Registry Number®

56767-17-0

CAS Name

Cyanidin 3-(6-O-p-coumarylglucoside)

Molecular Formula

C30H27O13.Cl

Cite this Page

Cyanidin 3-(6-O-p-coumarylglucoside).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56767-17-0 (retrieved 2024-11-22) (CAS RN: 56767-17-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H26O13.ClH/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15;/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36);1H/t24-,26-,27+,28-,30-;/m1./s1

InChIKey

InChIKey=PYEPZCFEGLGSQO-ULBURWQKSA-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=CC5=CC=C(O)C=C5)=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=CC5=CC=C(O)C=C5

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-, chloride (1:1)
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-, chloride
  • Cyanidin 3-(6-O-p-coumarylglucoside)
  • Cyanidin-3-O-(6-O-p-coumaryl)-glucoside

Deleted or Replaced CAS Registry Numbers

140674-90-4, 68206-48-4, 152103-70-3, 164584-51-4

CAS INSIGHTSTM
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