Cyanidin 3-sambubioside

CAS Registry Number®

33012-73-6
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CAS Name

Cyanidin 3-sambubioside

Molecular Formula

C26H29O15.Cl

Cite this Page

Cyanidin 3-sambubioside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33012-73-6 (retrieved 2024-05-05) (CAS RN: 33012-73-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H28O15.ClH/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9;/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31);1H/t15-,18-,19+,20-,21+,22-,24-,25+,26-;/m1./s1

InChIKey

InChIKey=BWHXEGJOYVNGQH-XOBUMVIESA-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)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=CC(O)=C(O)C5

Other Names for this Substance

  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, chloride (1:1)
  • Cyanidin 3-sambubioside
  • 1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, chloride
  • Flavylium, 4′,5,5′,7-tetrahydroxy-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, chloride
  • Sambicyanin

View All

Deleted or Replaced CAS Registry Numbers

62266-71-1

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