Cyanidin 3-O-(2′′-O-xylosyl)rutinoside

CAS Registry Number®

38226-79-8

CAS Name

Cyanidin 3-O-(2′′-O-xylosyl)rutinoside

Molecular Formula

C32H39O19.Cl

Cite this Page

Cyanidin 3-O-(2′′-O-xylosyl)rutinoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38226-79-8 (retrieved 2024-11-24) (CAS RN: 38226-79-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H38O19.ClH/c1-10-21(38)24(41)27(44)30(47-10)46-9-20-23(40)25(42)29(51-31-26(43)22(39)17(37)8-45-31)32(50-20)49-19-7-13-15(35)5-12(33)6-18(13)48-28(19)11-2-3-14(34)16(36)4-11;/h2-7,10,17,20-27,29-32,37-44H,8-9H2,1H3,(H3-,33,34,35,36);1H/t10-,17+,20+,21-,22-,23+,24+,25-,26+,27+,29+,30+,31-,32+;/m0./s1

InChIKey

InChIKey=NPNGXTNOHWBXEN-NMRUZERSSA-N

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]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)O4.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC5OCC(O)C(O)C5O)C(=[O+]C2C1)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-[O-β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride (1:1)
  • 1-Benzopyrylium, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-[O-β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, chloride
  • Cyanidin 3-O-β-(2G-xylosyl rutinoside)
  • Cyanidin 3-O-(2′′-O-xylosyl)rutinoside

Deleted or Replaced CAS Registry Numbers

934167-94-9

CAS INSIGHTSTM
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