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

CAS Registry Number®

107500-83-4

CAS Name

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

Molecular Formula

C49H59O29.Cl

Cite this Page

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[[2-O-β-D-glucopyranosyl-6-O-[(2E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=107500-83-4 (retrieved 2024-11-26) (CAS RN: 107500-83-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H58O29.ClH/c1-68-26-8-17(2-6-23(26)71-46-41(65)37(61)33(57)28(13-50)74-46)3-7-32(56)69-16-31-36(60)40(64)45(78-48-43(67)39(63)35(59)30(15-52)76-48)49(77-31)73-27-12-20-24(70-44(27)18-4-5-21(54)22(55)9-18)10-19(53)11-25(20)72-47-42(66)38(62)34(58)29(14-51)75-47;/h2-12,28-31,33-43,45-52,57-67H,13-16H2,1H3,(H2-,53,54,55);1H/b7-3+;/t28-,29-,30-,31-,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,45-,46-,47-,48+,49-;/m1./s1

InChIKey

InChIKey=IGJIHBYLWKYWGO-QYEJIOQHSA-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(OC)=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(OC)=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)-3-methoxyphenyl]-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1)
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[[2-O-β-D-glucopyranosyl-6-O-[3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride, (E)-
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[[2-O-β-D-glucopyranosyl-6-O-[(2E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride

CAS INSIGHTSTM
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