1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-β-D-xylopyranosyl-β-D-glucopyranosyl]oxy]-, chloride (1:1)

CAS Registry Number®

162972-64-7

CAS Name

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-β-D-xylopyranosyl-β-D-glucopyranosyl]oxy]-, chloride (1:1)

Molecular Formula

C35H35O17.Cl

Cite this Page

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-β-D-xylopyranosyl-β-D-glucopyranosyl]oxy]-, chloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=162972-64-7 (retrieved 2024-12-25) (CAS RN: 162972-64-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H34O17.ClH/c36-17-5-1-15(2-6-17)3-8-27(42)47-14-26-29(44)30(45)33(52-34-31(46)28(43)23(41)13-48-34)35(51-26)50-25-12-19-21(39)10-18(37)11-24(19)49-32(25)16-4-7-20(38)22(40)9-16;/h1-12,23,26,28-31,33-35,41,43-46H,13-14H2,(H4-,36,37,38,39,40,42);1H/t23-,26-,28+,29-,30+,31-,33-,34+,35-;/m1./s1

InChIKey

InChIKey=UAIRQBGQBHJCJU-WRIGJVMWSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C6=CC=C(O)C=C6)=O)O4.[Cl-]

Canonical SMILES

[Cl-].O=C(OCC1OC(OC2=CC=3C(O)=CC(O)=CC3[O+]=C2C=4C=CC(O)=C(O)C4)C(OC5OCC(O)C(O)C5O)C(O)C1O)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-β-D-xylopyranosyl-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]-2-O-β-D-xylopyranosyl-β-D-glucopyranosyl]oxy]-, chloride, (E)-
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-2-O-β-D-xylopyranosyl-β-D-glucopyranosyl]oxy]-, chloride
  • Cyanidin 3-O-(2-O-β-xylopyranosyl-6-O-(E)-p-coumaroyl)-β-D-glucopyranoside

CAS INSIGHTSTM
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