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

heraclenol

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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
ω 1.0103 Relay (... Calculated Property
ΔfG° -443.04 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -748.00 kJ/mol Relay (... Calculated Property
ΔvapH° 149.62 kJ/mol Relay (... Calculated Property
IE 8.38 eV Relay (... Calculated Property
log10WS -2.83 Relay (... Calculated Property
logPoct/wat 2.050 Crippen Calculated Property
McVol 213.140 ml/mol McGowan Calculated Property
Pc 1907.04 kPa Relay (... Calculated Property ⚠️
Inp 2670.00 NIST
Tboil 735.59 K Relay (... Calculated Property
Tc 996.66 K Relay (... Calculated Property
Tfus 444.46 K Relay (... Calculated Property
Vc 0.825 m3/kmol Relay (... Calculated Property

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. (E)-Cnidimine. (Z)-Cnidimine. Edulisin III. neral oxypeucedaninyl acetal (diastereomer b). geranial oxypeucedaninyl acetal (diastereomer a). geranial oxypeucedaninyl acetal (diastereomer b).

Find more compounds similar to heraclenol.

Sources

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