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Substance Name: Chlorohyssopifolin A
RN: 37006-36-3
InChIKey: NUVAJKJDTZTFLK-JZEHSGLZSA-N

Note

  • Chlorinated sesquiterpene lactone obtained from two species of Compositae (Centaurea hyssopifolia Vahl & Centaurea linifolia Vahl).

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H24-Cl2-O7

Molecular Weight

  • 435.298
 
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Names and Synonyms

Name of Substance

  • Chlorohyssopifolin A

Synonyms

  • Centaurepensin
  • Chlorohyssopiflobin A
  • Chlorohyssopifolin A
  • Hyrcanin
  • NSC 280869

Systematic Name

  • Propanoic acid, 3-chloro-2-hydroxy-2-methyl-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (3aR-(3a-alpha,4-alpha(S*),6a-alpha,8-beta,9-alpha,9a-alpha,9b-beta))-

Registry Numbers

CAS Registry Number

  • 37006-36-3

Other Registry Numbers

  • 38290-02-7
  • 60134-08-9

System Generated Number

  • 0037006363

Structure Descriptors

InChI

1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15?,18-,19+/m0/s1

InChIKey

NUVAJKJDTZTFLK-JZEHSGLZSA-N

Smiles

O1[C@@H]2[C@H]3[C@@]([C@@H](O)C[C@H]3C(C[C@@H]([C@H]2C(=C)C1=O)OC([C@@](O)(CCl)C)=O)=C)(O)CCl