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

CAS Registry Number®

124660-19-1

CAS Name

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

Molecular Formula

C37H39O19.Cl

Cite this Page

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-, chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124660-19-1 (retrieved 2024-12-18) (CAS RN: 124660-19-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H38O19.ClH/c1-50-24-8-15(2-5-20(24)41)3-7-28(43)51-14-27-30(45)32(47)34(49)37(56-27)54-25-12-18-22(52-35(25)16-4-6-19(40)21(42)9-16)10-17(39)11-23(18)53-36-33(48)31(46)29(44)26(13-38)55-36;/h2-12,26-27,29-34,36-38,44-49H,13-14H2,1H3,(H3-,39,40,41,42,43);1H

InChIKey

InChIKey=NVPWCJHNVZSERY-UHFFFAOYSA-N

SMILES

O(C=1C2=C([O+]=C(C(OC3OC(COC(C=CC4=CC(OC)=C(O)C=C4)=O)C(O)C(O)C3O)=C2)C5=CC(O)=C(O)C=C5)C=C(O)C1)C6OC(CO)C(O)C(O)C6O.[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(OC)=C6

Other Names for this Substance

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

CAS INSIGHTSTM
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