Delphinidin 3-sambubioside

CAS Registry Number®

53158-73-9
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CAS Name

Delphinidin 3-sambubioside

Molecular Formula

C26H29O16.Cl

Cite this Page

Delphinidin 3-sambubioside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=53158-73-9 (retrieved 2024-05-20) (CAS RN: 53158-73-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H28O16.ClH/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8;/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33);1H/t14-,17-,19+,20-,21+,22-,24-,25+,26-;/m1./s1

InChIKey

InChIKey=BNDHUCYNCNEUSY-CPXTURKASA-N

SMILES

O(C=1C(=[O+]C2=C(C1)C(O)=CC(O)=C2)C3=CC(O)=C(O)C(O)=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)O4.[Cl-]

Canonical SMILES

[Cl-].OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3OC4OCC(O)C(O)C4O)C(=[O+]C2C1)C=5C=C(O)C(O)=C(O)C5

Other Names for this Substance

  • 1-Benzopyrylium, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, chloride (1:1)
  • 1-Benzopyrylium, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, chloride
  • Delphinidin 3-sambubioside
  • Delphinidin 3-O-sambubioside

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