Chemical Properties of heraclenol (CAS 31575-93-6)

heraclenol

InChI
InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3/t11-/m1/s1
InChI Key
FOINLJRVEBYARJ-LLVKDONJSA-N
Formula
C16H16O6
SMILES
CC(C)(O)C(O)COc1c2occc2cc2ccc(=O)oc12
Molecular Weight1
304.29
CAS
31575-93-6
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Physical Properties

Property Value Unit Source
log10WS -2.83 Relay (1.0) Calculated Property
logPoct/wat 2.050 Crippen Calculated Property
McVol 213.140 ml/mol McGowan Calculated Property
Inp 2670.00 NIST
Tfus 445.38 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

(R)-9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one. (Z)-3-Hydroxy-3-methyl-1-((7-oxo-7H-furo[3,2-g]chromen-9-yl)oxy)butan-2-yl 2-methylbut-2-enoate. Heraclenin. oxypeucedanin hydrate. 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one. (S,Z)-3-Hydroxy-1-((9-methoxy-7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)-3-methylbutan-2-yl 2-methylbut-2-enoate. (R)-9-((3,3-Dimethyl-2-oxiranyl)methoxy)-4-methoxyfuro(3,2-g)chromen-7-one. (R,Z)-3-Hydroxy-3-methyl-1-((7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy)butan-2-yl 2-methylbut-2-enoate. oxypeucedanin methanolate. (Z)-Cnidimine. (E)-Cnidimine. Edulisin III. neral oxypeucedaninyl acetal (diastereomer a). geranial oxypeucedaninyl acetal (diastereomer b). neral oxypeucedaninyl acetal (diastereomer b).

Find more compounds similar to heraclenol.

Sources

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