Chemical Properties of atractylone (CAS 6989-21-5)

atractylone

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InChI
InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3
InChI Key
TYPSVDGIQAOBAD-UHFFFAOYSA-N
Formula
C15H20O
SMILES
C=C1CCCC2(C)Cc3occ(C)c3CC12
Molecular Weight1
216.32
CAS
6989-21-5
Other Names
  • Atractylon
Sources

Physical Properties

Property Value Unit Source
logPoct/wat 4.05 Crippen Calculated Property

Similar Compounds

Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans-. (4aS,8aS)-3,8a-Dimethyl-5-methylene-4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan. 3,5,8a-trimethyl-4,4a,8a,9-tetrahydronaphtho[2,3-b]furan. furanoeremophil-1-one. Curzerenone. 1«beta»-Acetoxyfuranoeudesm-4(15)-ene. epi-Curzerenone. Naphtho[2,3-b]furan-9(4H)-one, 4a,5,6,7,8,8a-hexahydro-3,4a,5-trimethyl-, [4aR-(4a«alpha»,5«alpha»,8a«alpha»)]-. 3,8a-Dimethyl-5-methylene-5,6,8a,9-tetrahydronaphtho[2,3-b]furan-4(4aH)-one. Verboccidentafuran. Menthofuran. 1«beta»-Acetoxyfuranoeudesm-3-ene. 3,5,8a-Trimethyl-4,6,8a,9-tetrahydronaphtho[2,3-b]furan. 1,6-Dihydrochromolaenin. Dihydroisochromolaenin.

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