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Substance Name: Chlororepdiolide
RN: 106566-98-7
InChIKey: ADYLGDMJIHJMCB-SQBHYDKLSA-N

Molecular Formula

  • C19-H23-Cl-O7

Molecular Weight

  • 398.837
 
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Names and Synonyms

Results Name

  • Chlororepdiolide

Synonyms

  • Cebellin E
  • Chlororepdiolide

Systematic Name

  • 2-Propenoic acid, 2-methyl-, 9-(chloromethyl)dodecahydro-7,8,9-trihydroxy-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (3aR-(3aalpha,4alpha,6aalpha,7alpha,8beta,9alpha,9aalpha,9bbeta))-

Registry Numbers

CAS Registry Number

  • 106566-98-7

System Generated Number

  • 0106566987

Structure Descriptors

InChI

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

InChIKey

ADYLGDMJIHJMCB-SQBHYDKLSA-N

Smiles

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