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Substance Name: Chlorohyssopifolin B
RN: 38290-03-8
InChIKey: YIFQICREHIVCKL-YWDFAVMRSA-N

Note

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

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H19-Cl-O5

Molecular Weight

  • 314.763
 
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Names and Synonyms

Name of Substance

  • Chlorohyssopifolin B

Synonym

  • Chlorohyssopifolin B

Systematic Name

  • Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6-bis(methylene)-9-(chloromethyl)-4,8,9-trihydroxy-, (3aR-(3a-alpha,4-alpha,6a-alpha,8-beta,9-alpha,9a-alpha,9b-beta))-

Registry Numbers

CAS Registry Number

  • 38290-03-8

System Generated Number

  • 0038290038

Structure Descriptors

InChI

1S/C15H19ClO5/c1-6-3-9(17)11-7(2)14(19)21-13(11)12-8(6)4-10(18)15(12,20)5-16/h8-13,17-18,20H,1-5H2/t8-,9-,10-,11+,12-,13-,15+/m0/s1

InChIKey

YIFQICREHIVCKL-YWDFAVMRSA-N

Smiles

O1[C@H]2[C@H](C(C1=O)=C)[C@H](CC([C@@H]1C[C@@H]([C@@]([C@H]21)(O)CCl)O)=C)O