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

CAS Registry Number®

200396-70-9

CAS Name

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

Molecular Formula

C56H59O30.Cl

Cite this Page

1-Benzopyrylium, 5-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-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=200396-70-9 (retrieved 2024-11-26) (CAS RN: 200396-70-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H58O30.ClH/c1-75-33-13-24(14-34(76-2)43(33)67)6-12-41(65)85-52-48(72)44(68)36(20-57)82-56(52)86-53-49(73)46(70)38(21-77-40(64)11-5-23-3-8-26(58)9-4-23)84-55(53)81-35-18-28-31(79-51(35)25-7-10-29(60)30(61)15-25)16-27(59)17-32(28)80-54-50(74)47(71)45(69)37(83-54)22-78-42(66)19-39(62)63;/h3-18,36-38,44-50,52-57,68-74H,19-22H2,1-2H3,(H5-,58,59,60,61,62,63,64,65,67);1H/t36-,37-,38-,44-,45-,46-,47+,48+,49+,50-,52-,53-,54-,55-,56+;/m1./s1

InChIKey

InChIKey=GSPSNUSTHBPNSZ-PHSUOAJBSA-N

SMILES

O(C=1C2=C([O+]=C(C(O[C@H]3[C@H](O[C@H]4[C@H](OC(/C=C/C5=CC(OC)=C(O)C(OC)=C5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C6=CC=C(O)C=C6)=O)O3)=C2)C7=CC(O)=C(O)C=C7)C=C(O)C1)[C@@H]8O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]8O.[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)C4OC6OC(CO)C(O)C(O)C6OC(=O)C=CC7=CC(OC)=C(O)C(OC)=C7)=CC23)C=8C=CC(O)=C(O)C8)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-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-6-O-[(2E)-3-(4-hydroxyphenyl)-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-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-, chloride

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