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Substance Name: Ergolide
RN: 54999-07-4
InChIKey: JCDZXDWMCKMXFF-MMLVVLEOSA-N

Note

  • A potent cytotoxic sesquiterpene lactone from Inula sp.

Molecular Formula

  • C17-H22-O5

Molecular Weight

  • 306.356
 
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Names and Synonyms

Results Name

  • Ergolide

Synonyms

  • Dihydrobigelovin
  • Ergolide

Systematic Name

  • Azuleno(6,5-b)furan-2,5-dione, 4-(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9abeta)

Registry Numbers

CAS Registry Number

  • 54999-07-4

System Generated Number

  • 0054999074

Structure Descriptors

InChI

1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h8,11-12,14-15H,2,5-7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1

InChIKey

JCDZXDWMCKMXFF-MMLVVLEOSA-N

Smiles

O1[C@@H]2[C@@H](C(C1=O)=C)[C@@H]([C@@]1(C(CC[C@H]1[C@@H](C2)C)=O)C)OC(=O)C