Chemical Properties of 2,6-Diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-9bH-dibenzofuran-1-one (Usnic acid)

2,6-Diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-9bH-dibenzofuran-1-one (Usnic acid)

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InChI
InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3
InChI Key
WEYVVCKOOFYHRW-UHFFFAOYSA-N
Formula
C18H16O7
SMILES
CC(=O)c1c2c(c(O)c(C)c1O)C1(C)C(=CC(O)=C(C(C)=O)C1=O)O2
Molecular Weight1
344.32
Sources

Physical Properties

Property Value Unit Source
Δf -585.76 kJ/mol Joback Calculated Property
Δfgas -958.27 kJ/mol Joback Calculated Property
Δfus 49.67 kJ/mol Joback Calculated Property
Δvap 126.61 kJ/mol Joback Calculated Property
logPoct/wat 2.13 Crippen Calculated Property
Pc 3348.98 kPa Joback Calculated Property
Tboil 1144.71 K Joback Calculated Property
Tc 1405.53 K Joback Calculated Property
Tfus 935.09 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 848.72 J/mol×K 1144.71 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
>C=O (ring) 1
>C=O (nonring) 2
-OH (alcohol) 1
=CH- (ring) 1
=C< (ring) 9
>C< (ring) 1
-CH3 4
-OH (phenol) 2

Similar Compounds

(+)-Usnic acid. Chlortetracycline hydrochloride. Thebaine. Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. Tetracycline hydrochloride. Acetimide, N-(6,7,9,10-tetrahydro-1,2,3,10-tetramethoxy-9-oxo-5H-10,12a-epoxybenzo(a)heptalen-7-yl)-. Cyanocobalamin. Ergocristin. 3-O,6-O,N-Triacetylnormorphine. AJMALINE, M(HO-), AC. C31-Aetio-porphyrin, Si-(OTMS)2-derivative. 6-O,N-Diacetylnorcodeine. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. Heptafluorobutyryl-codeine. Nalmefene, bis(trifluoroacetate).

Find more compounds similar to 2,6-Diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-9bH-dibenzofuran-1-one (Usnic acid).

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