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

CAS Registry Number®

107480-92-2

CAS Name

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

Molecular Formula

C48H57O28.Cl

Cite this Page

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[[2-O-β-D-glucopyranosyl-6-O-[(2E)-3-[4-(β-D-glucopyranosyloxy)phenyl]-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=107480-92-2 (retrieved 2024-11-26) (CAS RN: 107480-92-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H56O28.ClH/c49-13-27-32(56)36(60)40(64)45(72-27)68-20-5-1-17(2-6-20)3-8-31(55)67-16-30-35(59)39(63)44(76-47-42(66)38(62)34(58)29(15-51)74-47)48(75-30)71-26-12-21-24(69-43(26)18-4-7-22(53)23(54)9-18)10-19(52)11-25(21)70-46-41(65)37(61)33(57)28(14-50)73-46;/h1-12,27-30,32-42,44-51,56-66H,13-16H2,(H2-,52,53,54);1H/b8-3+;/t27-,28-,29-,30-,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,44-,45-,46-,47+,48-;/m1./s1

InChIKey

InChIKey=GVOUXJFNMSCVGF-QOJRFDMASA-N

SMILES

O(C=1C2=C([O+]=C(C(O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5=CC=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C=C5)=O)O3)=C2)C7=CC(O)=C(O)C=C7)C=C(O)C1)[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O.[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)C6O)C(O)C1O)C=CC7=CC=C(OC8OC(CO)C(O)C(O)C8O)C=C7

Other Names for this Substance

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

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