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

CAS Registry Number®

110202-93-2

CAS Name

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

Molecular Formula

C55H61O29.Cl

Cite this Page

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-2-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-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=110202-93-2 (retrieved 2024-11-29) (CAS RN: 110202-93-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C55H60O29.ClH/c1-72-31-11-22(12-32(73-2)41(31)63)5-9-39(61)76-21-38-45(67)48(70)52(84-55-51(47(69)44(66)37(20-57)81-55)83-40(62)10-6-23-13-33(74-3)42(64)34(14-23)75-4)54(82-38)79-35-18-26-29(77-50(35)24-7-8-27(59)28(60)15-24)16-25(58)17-30(26)78-53-49(71)46(68)43(65)36(19-56)80-53;/h5-18,36-38,43-49,51-57,65-71H,19-21H2,1-4H3,(H4-,58,59,60,61,62,63,64);1H/t36-,37-,38-,43-,44-,45-,46+,47+,48+,49-,51-,52-,53-,54-,55+;/m1./s1

InChIKey

InChIKey=NUBOYKSXYDDVHA-BJUOAYMASA-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(OC)=C(O)C(OC)=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=CC7=CC(OC)=C(O)C(OC)=C7)C(O)C1O)C=CC8=CC(OC)=C(O)C(OC)=C8

Other Names for this Substance

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

CAS INSIGHTSTM
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