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Substance Name: Isobyakangelicin angelate
RN: 116988-91-1
InChIKey: VTMREZQNDKWTII-SDQBBNPISA-N

Note

  • Furanocoumarin cpd from Peucedanum palustre.

Molecular Formula

  • C22-H24-O8

Molecular Weight

  • 416.424
 
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Names and Synonyms

Name of Substance

  • Isobyakangelicin angelate

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 2-hydroxy-1-(((9-methoxy-7-oxo-7H-furo(3,2-g)(1)benzopyran-4-yl)oxy)methyl)-2-methylpropyl ester, (Z)-

Registry Numbers

CAS Registry Number

  • 116988-91-1

System Generated Number

  • 0116988911

Structure Descriptors

InChI

1S/C22H24O8/c1-6-12(2)21(24)29-15(22(3,4)25)11-28-17-13-7-8-16(23)30-19(13)20(26-5)18-14(17)9-10-27-18/h6-10,15,25H,11H2,1-5H3/b12-6-

InChIKey

VTMREZQNDKWTII-SDQBBNPISA-N

Smiles

C(\C(=C/C)C)(=O)O[C@@H](C(C)(C)O)COc1c2c(c(c3c1ccc(o3)=O)OC)occ2