3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-[[6-O-[4-[[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzoyl]-β-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium

CAS Registry Number®

126417-59-2

CAS Name

3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-[[6-O-[4-[[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzoyl]-β-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium

Molecular Formula

C53H59O30

Cite this Page

3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-[[6-O-[4-[[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzoyl]-β-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126417-59-2 (retrieved 2024-12-18) (CAS RN: 126417-59-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H58O30/c1-18-34(58)39(63)43(67)50(76-18)75-17-33-38(62)42(66)46(70)53(83-33)80-30-14-25-26(55)12-24(13-29(25)79-47(30)21-10-27(56)35(59)28(57)11-21)78-52-45(69)41(65)37(61)32(82-52)16-74-49(72)20-4-8-23(9-5-20)77-51-44(68)40(64)36(60)31(81-51)15-73-48(71)19-2-6-22(54)7-3-19/h2-14,18,31-34,36-46,50-53,58,60-70H,15-17H2,1H3,(H4-,54,55,56,57,59,71)/p+1/t18-,31+,32+,33+,34-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,50+,51+,52+,53+/m0/s1

InChIKey

InChIKey=YODABPUZPVYDEF-CIBWSIAMSA-O

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O[C@@H]3O[C@H](COC(=O)C4=CC=C(O[C@@H]5O[C@H](COC(=O)C6=CC=C(O)C=C6)[C@@H](O)[C@H](O)[C@H]5O)C=C4)[C@@H](O)[C@H](O)[C@H]3O)=C2)C7=CC(O)=C(O)C(O)=C7)[C@@H]8O[C@H](CO[C@H]9[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O9)[C@@H](O)[C@H](O)[C@H]8O

Canonical SMILES

O=C(OCC1OC(OC2=CC=C(C=C2)C(=O)OCC3OC(OC=4C=C(O)C=5C=C(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C(=[O+]C5C4)C=8C=C(O)C(O)=C(O)C8)C(O)C(O)C3O)C(O)C(O)C1O)C9=CC=C(O)C=C9

Other Names for this Substance

  • 1-Benzopyrylium, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-[[6-O-[4-[[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzoyl]-β-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-
  • 3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-[[6-O-[4-[[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyl]oxy]benzoyl]-β-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium
  • Violdelphin

Deleted or Replaced CAS Registry Numbers

126417-60-5

CAS INSIGHTSTM
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