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

CAS Registry Number®

53925-30-7

CAS Name

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

Molecular Formula

C28H33O16.Cl

Cite this Page

1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-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=53925-30-7 (retrieved 2024-11-24) (CAS RN: 53925-30-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H32O16.ClH/c1-9-19(32)22(35)24(37)27(40-9)43-17-7-12-14(41-26(17)10-3-13(31)20(33)16(4-10)39-2)5-11(30)6-15(12)42-28-25(38)23(36)21(34)18(8-29)44-28;/h3-7,9,18-19,21-25,27-29,32,34-38H,8H2,1-2H3,(H2-,30,31,33);1H/t9-,18+,19-,21+,22+,23-,24+,25+,27-,28+;/m0./s1

InChIKey

InChIKey=AJKYRCBERDEFLR-QDTOAMOJSA-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(OC)=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(OC)C5

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride (1:1)
  • 1-Benzopyrylium, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxy-5-methoxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-, chloride
  • 5-(D-Glucosyloxy)-3′,4′,7-trihydroxy-5′-methoxy-3-(rhamnosyloxy)flavylium chloride
  • Petunidin, 5-glucoside 3-rhamnoside
  • Petunidin 3-rhamnoside-5-glucoside

Deleted or Replaced CAS Registry Numbers

28680-37-7

CAS INSIGHTSTM
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