Chemical Properties of Stigmasterol (CAS 83-48-7)

Stigmasterol

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InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20?,21?,23-,24?,25?,26?,27?,28?,29?/m1/s1
InChI Key
HCXVJBMSMIARIN-BASBAMEESA-N
Formula
C29H48O
SMILES
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
Molecular Weight1
412.69
CAS
83-48-7
Other Names
  • (22E)-Stigmasta-5,22-dien-3-ol
  • (24S)-5,22-Stigmastadien-3«beta»-ol
  • 5,22-Cholestadien-24-ethyl-3«beta»-ol
  • I-Stigmasterol
  • NSC 8095
  • Phytosterol
  • Stigmasta-5,22-dien-3-ol
  • Stigmasta-5,22-dien-3-ol, (3«beta»)-
  • Stigmasta-5,22-dien-3-ol, (3«beta»,22E)-
  • Stigmasta-5,22-dien-3«beta»-ol
  • Stigmasterin
  • «DELTA»5,22-Stigmastadien-3«beta»-ol
  • «beta»-Stigmasterol
Sources

Physical Properties

Property Value Unit Source
Δf 298.10 kJ/mol Joback Calculated Property
Δfgas -416.57 kJ/mol Joback Calculated Property
Δfus 38.08 kJ/mol Joback Calculated Property
Δvap 93.86 kJ/mol Joback Calculated Property
logPoct/wat 7.80 Crippen Calculated Property
Pc 990.75 kPa Joback Calculated Property
Tboil 996.86 K Joback Calculated Property
Tc 1225.48 K Joback Calculated Property
Tfus 529.85 K Joback Calculated Property
Vc 1.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1430.59 J/mol×K 996.86 Joback Calculated Property
ΔsubH 168.40 ± 1.40 kJ/mol 403.5 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 3
=CH- (ring) 1
-OH (alcohol) 1
=C< (ring) 1
-CH2- 1
=CH- 2
>C< (ring) 2
-CH3 6
>CH- (ring) 5
-CH2- (ring) 8

Similar Compounds

Cholesta-5,22-dien-3-ol, (3.beta.)-. Ergosta-5,22-dien-3-ol, (3.beta.,22e)-. (24S )-24-Methyl-26,26-dimethyl-27-norcholesta-5,22-dien-3.beta.-ol. Fucosterol. Cholest-5-en-3-ol, (3«alpha»)-. Cholesterol. Stigmasta-5,24(28)-dien-3-ol, (3«beta»,24Z)-. (22R,24S)-22,24-Dimethylcholesterol. Ergosta-5,24(28)-dien-3-ol, (3.beta.)-. Desmosterol. Cholesta-5,25-dien-3-.beta.-ol. «beta»-Sitosterol. Campesterol. «gamma»-Sitosterol. Stigmasta-5,23-dien-3.beta.-ol.

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