Quercetin 7-O-rutinoside

CAS Registry Number®

147714-62-3
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CAS Name

Quercetin 7-O-rutinoside

Molecular Formula

C27H30O16

Molecular Mass

610.52

Cite this Page

Quercetin 7-O-rutinoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=147714-62-3 (retrieved 2024-09-07) (CAS RN: 147714-62-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O16/c1-8-17(31)20(34)23(37)26(40-8)39-7-15-18(32)21(35)24(38)27(43-15)41-10-5-13(30)16-14(6-10)42-25(22(36)19(16)33)9-2-3-11(28)12(29)4-9/h2-6,8,15,17-18,20-21,23-24,26-32,34-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,23+,24+,26+,27+/m0/s1

InChIKey

InChIKey=IVTMALDHFAHOGL-YKTBBAMGSA-N

SMILES

O=C1C=2C(OC(=C1O)C3=CC(O)=C(O)C=C3)=CC(O[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)=CC2O

Canonical SMILES

O=C1C(O)=C(OC2=CC(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=CC(O)=C12)C=5C=CC(O)=C(O)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-
  • 7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4H-1-benzopyran-4-one
  • Quercetin 7-O-rutinoside
  • Quercetin 7-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside