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

CAS Registry Number®

163060-00-2

CAS Name

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

Molecular Formula

C41H45O22.Cl

Cite this Page

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-[[6-O-[(2Z)-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=163060-00-2 (retrieved 2024-12-26) (CAS RN: 163060-00-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H44O22.ClH/c42-13-27-31(50)33(52)36(55)40(61-27)59-25-11-19(44)10-24-20(25)12-26(37(58-24)17-4-7-21(45)22(46)9-17)60-41-38(63-39-35(54)30(49)23(47)14-57-39)34(53)32(51)28(62-41)15-56-29(48)8-3-16-1-5-18(43)6-2-16;/h1-12,23,27-28,30-36,38-42,47,49-55H,13-15H2,(H3-,43,44,45,46,48);1H/t23-,27-,28-,30+,31-,32-,33+,34+,35-,36-,38-,39+,40-,41-;/m1./s1

InChIKey

InChIKey=VKIASUFWPSUXTH-RGZJCQCWSA-N

SMILES

O(C=1C2=C([O+]=C(C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](COC(/C=C\C5=CC=C(O)C=C5)=O)O3)=C2)C6=CC(O)=C(O)C=C6)C=C(O)C1)[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O.[Cl-]

Canonical SMILES

[Cl-].O=C(OCC1OC(OC2=CC=3C(OC4OC(CO)C(O)C(O)C4O)=CC(O)=CC3[O+]=C2C=5C=CC(O)=C(O)C5)C(OC6OCC(O)C(O)C6O)C(O)C1O)C=CC7=CC=C(O)C=C7

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-[[6-O-[(2Z)-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-(β-D-glucopyranosyloxy)-7-hydroxy-3-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-2-O-β-D-xylopyranosyl-β-D-glucopyranosyl]oxy]-, chloride, (Z)-
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-[[6-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-2-O-β-D-xylopyranosyl-β-D-glucopyranosyl]oxy]-, chloride

Deleted or Replaced CAS Registry Numbers

934167-96-1

CAS INSIGHTSTM
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