2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium

CAS Registry Number®

142561-98-6

CAS Name

2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium

Molecular Formula

C32H39O20

Cite this Page

2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142561-98-6 (retrieved 2024-11-23) (CAS RN: 142561-98-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/p+1/t16-,19-,20-,21+,22-,23+,24+,25+,26-,27-,29-,30-,31+,32-/m1/s1

InChIKey

InChIKey=RAHCBDLMLRVOBZ-KMLVFDMGSA-O

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](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O4

Canonical SMILES

OC=1C=C(O)C=2C=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3OC5OCC(O)C(O)C5O)C(=[O+]C2C1)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-
  • 2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-1-benzopyrylium
  • Cyanidin-3-(2′′-xylosyl-6′′-glucosyl-galactoside)

CAS INSIGHTSTM
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