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/t13?,15-/m0/s1
InChI Key
TYPSVDGIQAOBAD-WUJWULDRSA-N
Formula
C15H20O
SMILES
C=C1CCCC2(C)Cc3occ(C)c3CC12
Molecular Weight1
216.32
CAS
6989-21-5
Other Names
  • Atractylon
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Physical Properties

Property Value Unit Source
log10WS -8.96 Crippen Calculated Property
logPoct/wat 4.049 Crippen Calculated Property
McVol 182.600 ml/mol McGowan Calculated Property
Inp [1621.00; 1673.00]   Show Hide
Inp 1652.00 NIST
Inp 1669.30 NIST
Inp 1621.00 NIST
Inp 1655.00 NIST
Inp 1673.00 NIST

Similar Compounds

(4aS,8aS)-3,8a-Dimethyl-5-methylene-4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan. Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans-. 1«beta»-Acetoxyfuranoeudesm-4(15)-ene. 3,5,8a-trimethyl-4,4a,8a,9-tetrahydronaphtho[2,3-b]furan. 1«beta»-Acetoxyfuranoeudesm-3-ene. Verboccidentafuran. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Morphinan, 7,8-didehydro-4,5-epoxy-17-methyl-3,6-bis[(trimethylsilyl)oxy]-, (5«alpha»,6«alpha»)-. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

Find more compounds similar to atractylone.

Sources

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