Quercetin 3-O-sambubioside

CAS Registry Number®

83048-35-5
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CAS Name

Quercetin 3-O-sambubioside

Molecular Formula

C26H28O16

Molecular Mass

596.49

Cite this Page

Quercetin 3-O-sambubioside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=83048-35-5 (retrieved 2024-05-11) (CAS RN: 83048-35-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15-,17+,18-,20+,21-,24-,25+,26+/m1/s1

InChIKey

InChIKey=NKFZLEYLWAFYEH-CJNLAGEVSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(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

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2OC3OCC(O)C(O)C3O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(O)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-
  • 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one
  • Quercetin 3-sambubioside
  • Quercetin 3-O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside
  • Quercetin 3-O-sambubioside

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