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Substance Name: Chlorohyssopifolin C
RN: 41787-75-1
InChIKey: RFRUYYQMUJRBAN-ONCJGSTBSA-N

Note

  • Chlorinated sesquiterpene lactone from two species of Compositae.

Classification Code

  • Mutation Data

Molecular Formula

  • C19-H23-Cl-O7

Molecular Weight

  • 398.8367
 
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Names and Synonyms

Name of Substance

  • Chlorohyssopifolin C

Synonyms

  • Acroptilin
  • Chlorohyssopifolin C

Systematic Name

  • Propanoic acid, 3-chloro-2-hydroxy-2-methyl-, decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro(azuleno(4,5-b)furan-9(2H),2'-oxiran)-4-yl ester, (3aR-(3a-alpha,4-alpha(S*),6a-alpha,8-beta,9-alpha,9a-alpha,9b-beta))-

Registry Numbers

CAS Registry Number

  • 41787-75-1

Other Registry Numbers

  • 11049-71-1
  • 11081-26-8
  • 54278-78-3

System Generated Number

  • 0041787751

Structure Descriptors

InChI

1S/C19H23ClO7/c1-8-4-11(26-17(23)18(3,24)6-20)13-9(2)16(22)27-15(13)14-10(8)5-12(21)19(14)7-25-19/h10-15,21,24H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15-,18+,19+/m0/s1

InChIKey

RFRUYYQMUJRBAN-ONCJGSTBSA-N

Smiles

CC(CCl)(C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]([C@@]3([C@@H]2[C@@H]4[C@@H]1C(=C)C(=O)O4)CO3)O)O