1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride

CAS Registry Number®

53925-31-8
No image available.

CAS Name

1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride

Molecular Formula

C27H31O16.Cl

Cite this Page

1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53925-31-8 (retrieved 2024-09-19) (CAS RN: 53925-31-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O16.ClH/c1-8-18(32)21(35)23(37)26(39-8)42-16-6-11-14(40-25(16)9-2-12(30)19(33)13(31)3-9)4-10(29)5-15(11)41-27-24(38)22(36)20(34)17(7-28)43-27;/h2-6,8,17-18,20-24,26-28,32,34-38H,7H2,1H3,(H3-,29,30,31,33);1H/t8-,17+,18-,20+,21+,22-,23+,24+,26-,27+;/m0./s1

InChIKey

InChIKey=MCKQPLQXSGXXMC-DZSGVPKLSA-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(O)=C4)[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(C)C(O)C(O)C4O)C(=[O+]C3C1)C=5C=C(O)C(O)=C(O)C5

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride
  • 5-(D-Glucosyloxy)-3′,4′,5′,7-tetrahydroxy-3-(rhamnosyloxy)flavylium chloride
  • Delphinidin, 5-glucoside 3-rhamnoside
  • Delphinidin 3-rhamnoside-5-glucoside