Substance
  • Substance Name: atractylenolide III
  • Formula: C15H20O3
  • Molecular Weight: 248.32 g/mol
  • Identifiers:
    • inchi: InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3
    • inchikey: FBMORZZOJSDNRQ-UHFFFAOYSA-N
    • casrn: 94204-13-4
    • csmiles: CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C
    • ismiles: CC1=C2CC3C(=C)CCCC3(CC2(OC1=O)O)C
    • pubchemId: 196319
    • iupacname: 9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-2-one
    • wikidataId: Q82887225
    • dsstoxcmpId: DTXCID90222855
atractylenolide III
Systems and Datasets