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

CAS Registry Number®

130009-41-5

CAS Name

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

Molecular Formula

C36H37O19.Cl

Cite this Page

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=130009-41-5 (retrieved 2024-11-23) (CAS RN: 130009-41-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H36O19.ClH/c37-12-25-28(44)30(46)32(48)35(54-25)52-23-10-16(38)9-22-17(23)11-24(34(51-22)15-3-5-19(40)21(42)8-15)53-36-33(49)31(47)29(45)26(55-36)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14;/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43);1H/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-;/m1./s1

InChIKey

InChIKey=SEQOOWBSCYALJD-DTBMBSLQSA-N

SMILES

O(C=1C2=C([O+]=C(C(O[C@@H]3O[C@H](COC(/C=C/C4=CC(O)=C(O)C=C4)=O)[C@@H](O)[C@H](O)[C@H]3O)=C2)C5=CC(O)=C(O)C=C5)C=C(O)C1)[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O.[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(O)C(O)C1O)C=CC6=CC=C(O)C(O)=C6

Other Names for this Substance

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

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