Chemical Properties of 5.alpha.-tirucalla-8,23-dien-3.beta.-ol, acetylated

5.alpha.-tirucalla-8,23-dien-3.beta.-ol, acetylated

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InChI
InChI=1S/C33H54O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h11,21,23,25,28-29H,12-20H2,1-10H3/b22-11+/t23-,25-,28-,29-,31+,32-,33+/m1/s1
InChI Key
DJFUFRXAOIPMAV-LRQVTKJASA-N
Formula
C33H54O2
SMILES
CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(C)CC=C(C)C(C)C)C1(C)CC3
Molecular Weight1
482.78
Sources

Physical Properties

Property Value Unit Source
Δf 207.96 kJ/mol Joback Calculated Property
Δfgas -577.20 kJ/mol Joback Calculated Property
Δfus 36.36 kJ/mol Joback Calculated Property
Δvap 94.07 kJ/mol Joback Calculated Property
logPoct/wat 9.30 Crippen Calculated Property
Pc 800.24 kPa Joback Calculated Property
Tboil 1078.27 K Joback Calculated Property
Tc 1323.90 K Joback Calculated Property
Tfus 647.63 K Joback Calculated Property
Vc 1.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1737.04 J/mol×K 1078.27 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
=C< 1
=C< (ring) 2
-CH2- 1
=CH- 1
-CH3 10
>C< (ring) 4
>C=O (nonring) 1
>CH- (ring) 3
-CH2- (ring) 8

Similar Compounds

24-Dihydrotirucallol acetate. butyrospermol acetylated. 24-Methyl-31-norlanosterol acetate. Isoeuphenol acetate. Lanost-8-en-3-ol, acetate, (3«beta»,13«alpha»,14«beta»,17«alpha»)-. 24-Ethyl-31-nor-8,25-lanostadienol acetate. Tirucallol acetate. 24-Methylene-24-dihydrolanosterol acetate. 24-Ethyl-31-nor-8-lanostenol acetate. Isotirucallenol acetate. Euphol acetate. 31-Norlanosterol acetate. Lanost-8-en-3-ol, acetate, (3«beta»)-. 24-Methyl-24-dihydrolanosterol acetate. 31-Nor-8-lanostenol acetate.

Find more compounds similar to 5.alpha.-tirucalla-8,23-dien-3.beta.-ol, acetylated.

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