Cyanidin 3-sambubioside-5-glucoside

CAS Registry Number®

53925-33-0

CAS Name

Cyanidin 3-sambubioside-5-glucoside

Molecular Formula

C32H39O20.Cl

Cite this Page

Cyanidin 3-sambubioside-5-glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53925-33-0 (retrieved 2024-11-23) (CAS RN: 53925-33-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H38O20.ClH/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30;/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37);1H/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-;/m1./s1

InChIKey

InChIKey=UFUFUUOWFABDAK-JTEBGWLPSA-N

SMILES

O(C=1C2=C([O+]=C(C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C2)C5=CC(O)=C(O)C=C5)C=C(O)C1)[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(CO)C(O)C(O)C4OC5OCC(O)C(O)C5O)C(=[O+]C3C1)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, chloride (1:1)
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, chloride
  • Cyanidin 3-sambubioside-5-glucoside
  • Cyanidin 3-(2-O-xylosylglucoside)-5-O-glucoside
  • 3-O-Sambubiosyl-5-O-glucosyl cyanidin

Deleted or Replaced CAS Registry Numbers

525589-17-7, 934167-95-0

CAS INSIGHTSTM
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