Malvidin-3-laminaribioside

CAS Registry Number®

55463-07-5
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CAS Name

Malvidin-3-laminaribioside

Molecular Formula

C29H35O17.Cl

Cite this Page

Malvidin-3-laminaribioside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55463-07-5 (retrieved 2024-09-20) (CAS RN: 55463-07-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H34O17.ClH/c1-40-15-3-10(4-16(41-2)20(15)34)26-17(7-12-13(33)5-11(32)6-14(12)42-26)43-29-25(39)27(22(36)19(9-31)45-29)46-28-24(38)23(37)21(35)18(8-30)44-28;/h3-7,18-19,21-25,27-31,35-39H,8-9H2,1-2H3,(H2-,32,33,34);1H/t18-,19-,21-,22-,23+,24-,25-,27+,28+,29-;/m1./s1

InChIKey

InChIKey=XNERZOPDHLKOGS-HTPQUXISSA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(OC)=C(O)C(OC)=C3)[C@H]4[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H](CO)O4.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=[O+]C2C1)C=5C=C(OC)C(O)=C(OC)C5

Other Names for this Substance

  • 1-Benzopyrylium, 3-[(3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride
  • Malvidin-3-laminaribioside