Atractylone

  • Identifiers

    CAS mumber
    6989-21-5

    Molecular formula
    C15H20O

    SMILES
    CC1=COC2=C1C[C@H]3C(=C)CCC[C@@]3(C2)C

    Retention indicies (RI)

    • DB5: 1657.0

  • Properties

    XLogP3-AA
    4.0 Well soluble in BB, DEP, IPM

    Molecular weight
    216.32 g/mol

  • Synonyms

    • Atractylon
    • 6989-21-5
    • Atractylone
    • (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan
    • Atractyline(Discontinued)(Sh)
    • Atractyloxide
    • (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran
    • CHEMBL486189
    • CHEBI:80796
    • DTXSID50220170
    • Atractylol
    • Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS,8aR)-
    • Naphtho(2,3-b)furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS-trans)-
    • (4aR,8aS)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo(f)(1)benzofuran
    • (4aR,8aS)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran
    • (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho(2,3-b)furan
    • (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo(f)(1)benzofuran
    • Naphtho(2,3-b)furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS,8aR)-
    • Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS-trans)-
    • MFCD00210477
    • SCHEMBL19082783
    • DTXCID50142661
    • GLXC-14731
    • HY-N2095
    • Naphtho[2,3-b]furan, 4,4a.alpha.,5,6,7,8,8a,9-octahydro-3,8a.beta.-dimethyl-5-methylene-
    • BDBM50241938
    • s9158
    • AKOS016013441
    • CCG-266696
    • FS-7477
    • AC-34104
    • DA-61302
    • CS-0018600
    • C16919
    • Q27149840
    • Naphtho(2,3-b)furan, 4,4aalpha,5,6,7,8,8a,9-octahydro-3,8abeta-dimethyl-5-methylene-
    • (4AS,8AR)-3,8A-DIMETHYL-5-METHYLIDENE-4H,4AH,5H,6H,7H,8H,8AH,9H-NAPHTHO[2,3-B]FURAN
1 3

Botanical

Name CAS Botanical Proportion
Eugenia uniflora leaf (Brazil) 2 Eugenia uniflora L. (E. michelii Lam., E. pitanga (Berg), fam. Myrtaceae 4.0%
Protium heptaphyllum 2a leaf Protium heptaphyllum (Aubl.) March., fam. Burseraceae 1.0%