Malvidin 3-rutinoside

CAS Registry Number®

39824-82-3

CAS Name

Malvidin 3-rutinoside

Molecular Formula

C29H35O16.Cl

Cite this Page

Malvidin 3-rutinoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39824-82-3 (retrieved 2024-11-22) (CAS RN: 39824-82-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H34O16.ClH/c1-10-20(32)23(35)25(37)28(42-10)41-9-19-22(34)24(36)26(38)29(45-19)44-18-8-13-14(31)6-12(30)7-15(13)43-27(18)11-4-16(39-2)21(33)17(5-11)40-3;/h4-8,10,19-20,22-26,28-29,32,34-38H,9H2,1-3H3,(H2-,30,31,33);1H/t10-,19+,20-,22+,23+,24-,25+,26+,28+,29+;/m0./s1

InChIKey

InChIKey=VVPPXWXFLKPVAP-XABKVAPCSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(OC)=C(O)C(OC)=C3)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(=[O+]C2C1)C=5C=C(OC)C(O)=C(OC)C5

Other Names for this Substance

  • 1-Benzopyrylium, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride (1:1)
  • 1-Benzopyrylium, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride
  • Malvidin, 3-(6-O-α-L-rhamno-β-D-glucopyranoside)
  • Malvidin 3-rutinoside
  • 3-O-Rutinosylmalvidin

CAS INSIGHTSTM
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