Herbacetin 8-O-β-D-glucopyranoside

CAS Registry Number®

11021-22-0
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CAS Name

Herbacetin 8-O-β-D-glucopyranoside

Molecular Formula

C21H20O12

Molecular Mass

464.38

Cite this Page

Herbacetin 8-O-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11021-22-0 (retrieved 2024-09-20) (CAS RN: 11021-22-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20O12/c22-6-11-13(26)15(28)17(30)21(31-11)33-19-10(25)5-9(24)12-14(27)16(29)18(32-20(12)19)7-1-3-8(23)4-2-7/h1-5,11,13,15,17,21-26,28-30H,6H2/t11-,13-,15+,17-,21+/m1/s1

InChIKey

InChIKey=WWEKCPWUOZWBRI-KKPQBLLMSA-N

SMILES

O(C1=C2C(C(=O)C(O)=C(O2)C3=CC=C(O)C=C3)=C(O)C=C1O)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C(O)=C(OC=2C(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C(O)C12)C=4C=CC(O)=CC4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 8-(β-D-glucopyranosyloxy)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-
  • Herbacin
  • 8-(β-D-Glucopyranosyloxy)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Herbacetin 8-glucoside
  • Herbacetin 8-O-glucoside

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