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

CAS Registry Number®

123453-03-2

CAS Name

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

Molecular Formula

C40H41O22.Cl

Cite this Page

1-Benzopyrylium, 5-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-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=123453-03-2 (retrieved 2024-11-08) (CAS RN: 123453-03-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H40O22.ClH/c1-55-25-8-16(2-5-21(25)43)3-7-30(47)56-14-27-32(49)35(52)37(54)40(62-27)60-26-12-19-23(58-38(26)17-4-6-20(42)22(44)9-17)10-18(41)11-24(19)59-39-36(53)34(51)33(50)28(61-39)15-57-31(48)13-29(45)46;/h2-12,27-28,32-37,39-40,49-54H,13-15H2,1H3,(H4-,41,42,43,44,45,46,47);1H

InChIKey

InChIKey=LGFZGQJMXMRFIZ-UHFFFAOYSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(OC3OC(COC(CC(O)=O)=O)C(O)C(O)C3O)=CC(O)=C2)C4=CC(O)=C(O)C=C4)C5OC(COC(C=CC6=CC(OC)=C(O)C=C6)=O)C(O)C(O)C5O.[Cl-]

Canonical SMILES

[Cl-].O=C(O)CC(=O)OCC1OC(OC2=CC(O)=CC=3[O+]=C(C(OC4OC(COC(=O)C=CC5=CC=C(O)C(OC)=C5)C(O)C(O)C4O)=CC23)C=6C=CC(O)=C(O)C6)C(O)C(O)C1O

Other Names for this Substance

  • 1-Benzopyrylium, 5-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-, chloride (1:1)
  • 1-Benzopyrylium, 5-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-, chloride, (E)-
  • 1-Benzopyrylium, 5-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-, chloride

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