2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyrylium

CAS Registry Number®

142561-99-7

CAS Name

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyrylium

Molecular Formula

C42H47O23

Cite this Page

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyrylium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142561-99-7 (retrieved 2024-11-27) (CAS RN: 142561-99-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H46O23/c1-57-26-8-16(2-5-21(26)45)3-7-30(49)58-14-28-32(51)34(53)37(56)40(63-28)60-15-29-33(52)35(54)39(65-41-36(55)31(50)24(48)13-59-41)42(64-29)62-27-12-19-22(46)10-18(43)11-25(19)61-38(27)17-4-6-20(44)23(47)9-17/h2-12,24,28-29,31-37,39-42,48,50-56H,13-15H2,1H3,(H4-,43,44,45,46,47,49)/p+1/t24-,28-,29-,31+,32-,33+,34+,35+,36-,37-,39-,40-,41+,42-/m1/s1

InChIKey

InChIKey=MUQNMJSHMPEZCV-JHCRVGSQSA-O

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)[C@@H](O)[C@@H](O)[C@@H](CO[C@@H]6O[C@H](COC(/C=C/C7=CC(OC)=C(O)C=C7)=O)[C@@H](O)[C@H](O)[C@H]6O)O4

Canonical SMILES

O=C(OCC1OC(OCC2OC(OC3=CC=4C(O)=CC(O)=CC4[O+]=C3C=5C=CC(O)=C(O)C5)C(OC6OCC(O)C(O)C6O)C(O)C2O)C(O)C(O)C1O)C=CC7=CC=C(O)C(OC)=C7

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-, (E)-
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-
  • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[[O-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-galactopyranosyl]oxy]-1-benzopyrylium

CAS INSIGHTSTM
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