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

CAS Registry Number®

73545-87-6

CAS Name

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

Molecular Formula

C42H41O23.Cl

Cite this Page

1-Benzopyrylium, 5-[[4,6-bis-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-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=73545-87-6 (retrieved 2024-12-18) (CAS RN: 73545-87-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H40O23.ClH/c43-20-6-1-18(2-7-20)3-10-31(50)58-16-27-34(53)35(54)37(56)41(63-27)62-26-13-23-24(60-39(26)19-4-8-21(44)9-5-19)11-22(45)12-25(23)61-42-38(57)36(55)40(65-33(52)15-30(48)49)28(64-42)17-59-32(51)14-29(46)47;/h1-13,27-28,34-38,40-42,53-57H,14-17H2,(H4-,43,44,45,46,47,48,49,50);1H

InChIKey

InChIKey=PRIKENKINTZKRS-UHFFFAOYSA-N

SMILES

O(C=1C2=C([O+]=C(C(OC3OC(COC(C=CC4=CC=C(O)C=C4)=O)C(O)C(O)C3O)=C2)C5=CC=C(O)C=C5)C=C(O)C1)C6OC(COC(CC(O)=O)=O)C(OC(CC(O)=O)=O)C(O)C6O.[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=C5)C(O)C(O)C4O)=CC23)C=6C=CC(O)=CC6)C(O)C(O)C1OC(=O)CC(=O)O

Other Names for this Substance

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

CAS INSIGHTSTM
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