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Substance Name: Chlorohyssopifolin D
RN: 54278-79-4
InChIKey: BKGOOGOAAWZTIY-UHFFFAOYSA-N

Note

  • Chlorinated sesquiterpene lactone from two species of Compositae.

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H29-Cl-O8

Molecular Weight

  • 444.905
 
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Names and Synonyms

Name of Substance

  • Chlorohyssopifolin D

Synonyms

  • BRN 0589514
  • Chlorohyssopifolin D

Systematic Name

  • Propanoic acid, 2-ethoxy-3-hydroxy-2-methyl-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester

Registry Numbers

CAS Registry Number

  • 54278-79-4

System Generated Number

  • 0054278794

Structure Descriptors

InChI

1S/C21H29ClO8/c1-5-28-20(4,9-23)19(26)29-13-6-10(2)12-7-14(24)21(27,8-22)16(12)17-15(13)11(3)18(25)30-17/h12-17,23-24,27H,2-3,5-9H2,1,4H3

InChIKey

BKGOOGOAAWZTIY-UHFFFAOYSA-N

Smiles

C([C@@](CO)(C)OCC)(=O)O[C@@H]1CC([C@@H]2C[C@@H]([C@@]([C@@H]2[C@@H]2OC(C([C@@H]12)=C)=O)(O)CCl)O)=C