Chemical Properties of 3«beta»-Acetoxylup-20(29)-en-30-al

3«beta»-Acetoxylup-20(29)-en-30-al

InChI
InChI=1S/C32H50O3/c1-20(19-33)22-11-14-29(5)17-18-31(7)23(27(22)29)9-10-25-30(6)15-13-26(35-21(2)34)28(3,4)24(30)12-16-32(25,31)8/h19,22-27H,1,9-18H2,2-8H3/t22-,23?,24?,25?,26-,27?,29+,30-,31+,32+/m1/s1
InChI Key
HXYXPRAPFYNNIY-PFPGRZSESA-N
Formula
C32H50O3
SMILES
C=C(C=O)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C12
Molecular Weight1
482.74
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Physical Properties

Property Value Unit Source
ω 0.6748 Relay (1.0) Calculated Property
ΔfG° 121.85 kJ/mol Joback Calculated Property
ΔfH°gas -731.07 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.13 kJ/mol Joback Calculated Property
ΔvapH° 142.76 kJ/mol Relay (1.0) Calculated Property
IE 8.57 eV Relay (1.0) Calculated Property
log10WS -6.58 Relay (1.0) Calculated Property
logPoct/wat 7.775 Crippen Calculated Property
McVol 412.150 ml/mol McGowan Calculated Property
Pc 920.50 kPa Joback Calculated Property
Inp 3600.00 NIST
Tboil 723.91 K Relay (1.0) Calculated Property
Tc 1050.85 K Relay (1.0) Calculated Property
Tfus 445.04 K Relay (1.0) Calculated Property
Vc 1.489 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1743.80; 2258.83] J/mol×K [1085.57; 1337.99] Show Hide
Cp,gas 1743.80 J/mol×K 1085.57 Joback Calculated Property
Cp,gas 1810.13 J/mol×K 1127.64 Joback Calculated Property
Cp,gas 1883.10 J/mol×K 1169.71 Joback Calculated Property
Cp,gas 1963.57 J/mol×K 1211.78 Joback Calculated Property
Cp,gas 2052.44 J/mol×K 1253.85 Joback Calculated Property
Cp,gas 2150.56 J/mol×K 1295.92 Joback Calculated Property
Cp,gas 2258.83 J/mol×K 1337.99 Joback Calculated Property

Similar Compounds

Epilupeol (20[29]-lupen-3A-ol) acetate. Lup-20(29)-en-3-ol, acetate, (3«beta»)-. Moretenol (21-epi-22[29]hopenol) acetate. Acetyl betulinaldehyde. 24-Methylenedammarenol acetate. 24-Methylene-24-dihydrolanosterol acetate. 31-Norcyclolaudenol acetate. Cyclolaudenol acetate. 3«beta»-Acetoxy-30-(trimethylsilyloxy)lup-20(29)-ene. 9,19-Cyclolanostan-3-ol, 24-methylene-, acetate, (3«beta»)-. 31-Nor-8-lanostenol acetate. 24-Ethyl-31-nor-8-lanostenol acetate. 24-Methyl-31-norlanosterol acetate. 24-Methylene-31-nor-9(11)-lanostenol acetate. 24-Methylene-24-dihydroparkeol acetate.

Find more compounds similar to 3«beta»-Acetoxylup-20(29)-en-30-al.

Sources

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