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Substance Name: Agrimonolide-6-O-glucopyranoside
RN: 126223-29-8
InChIKey: GTNBYGORCDLAFG-KAJSMZSISA-N

Note

  • From rootsprouts of Agrimonia Pilosa Ledeb.

Molecular Formula

  • C24-H28-O10

Molecular Weight

  • 476.475
 
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Names and Synonyms

Name of Substance

  • Agrimonolide-6-O-glucopyranoside

Synonyms

  • A-6-GP
  • Agrimonolide-6-O-beta-D-glucopyranoside

Systematic Name

  • 1H-2-Benzopyran-1-one, 6-(beta-D-glucopyranosyloxy)-3,4-dihydro-8-hydroxy-3-(2-(4-methoxyphenyl)ethyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 126223-29-8

System Generated Number

  • 0126223298

Structure Descriptors

InChI

1S/C24H28O10/c1-31-14-5-2-12(3-6-14)4-7-15-8-13-9-16(10-17(26)19(13)23(30)32-15)33-24-22(29)21(28)20(27)18(11-25)34-24/h2-3,5-6,9-10,15,18,20-22,24-29H,4,7-8,11H2,1H3/t15-,18+,20+,21-,22+,24+/m0/s1

InChIKey

GTNBYGORCDLAFG-KAJSMZSISA-N

Smiles

C1[C@@H](OC(c2c1cc(cc2O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)=O)CCc1ccc(cc1)OC