1-Benzopyrylium, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride

CAS Registry Number®

61811-04-9

CAS Name

1-Benzopyrylium, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride

Molecular Formula

C35H45O22.Cl

Cite this Page

1-Benzopyrylium, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61811-04-9 (retrieved 2024-11-08) (CAS RN: 61811-04-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H44O22.ClH/c1-49-16-3-11(4-17(50-2)22(16)40)31-18(7-13-14(51-31)5-12(39)6-15(13)52-33-29(47)26(44)23(41)19(8-36)54-33)53-35-32(28(46)25(43)21(10-38)56-35)57-34-30(48)27(45)24(42)20(9-37)55-34;/h3-7,19-21,23-30,32-38,41-48H,8-10H2,1-2H3,(H-,39,40);1H/t19-,20-,21-,23-,24-,25-,26+,27+,28+,29-,30-,32-,33-,34+,35-;/m1./s1

InChIKey

InChIKey=RJQBHNRJPONECP-WNHRLRSCSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2)C4=CC(OC)=C(O)C(OC)=C4)[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H](CO)O5.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(O)C5O)C(=[O+]C3C1)C=6C=C(OC)C(O)=C(OC)C6

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles