1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-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

CAS Registry Number®

110219-77-7

CAS Name

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-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

Molecular Formula

C53H57O27.Cl

Cite this Page

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-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.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110219-77-7 (retrieved 2024-11-08) (CAS RN: 110219-77-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H56O27.ClH/c1-70-32-13-23(14-33(71-2)40(32)62)6-12-39(61)79-49-45(67)42(64)36(20-55)77-53(49)80-50-46(68)43(65)37(21-72-38(60)11-5-22-3-8-25(56)9-4-22)78-52(50)75-34-18-27-30(73-48(34)24-7-10-28(58)29(59)15-24)16-26(57)17-31(27)74-51-47(69)44(66)41(63)35(19-54)76-51;/h3-18,35-37,41-47,49-55,63-69H,19-21H2,1-2H3,(H4-,56,57,58,59,60,61,62);1H/t35-,36-,37-,41-,42-,43-,44+,45+,46+,47-,49-,50-,51-,52-,53+;/m1./s1

InChIKey

InChIKey=GAEQYJUHJWSSFD-QGMKXYSYSA-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(O)=C(O)C=C4)[C@H]5[C@H](O[C@H]6[C@H](OC(/C=C/C7=CC(OC)=C(O)C(OC)=C7)=O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C8=CC=C(O)C=C8)=O)O5.[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(OC6OC(CO)C(O)C(O)C6OC(=O)C=CC=7C=C(OC)C(O)=C(OC)C7)C(O)C1O)C=CC8=CC=C(O)C=C8

Other Names for this Substance

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

Deleted or Replaced CAS Registry Numbers

111625-49-1

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles