Chemical Properties of «beta»-Sitosterol (CAS 83-46-5)

«beta»-Sitosterol

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InChI
InChI=1S/C29H50O/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/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20?,21?,23-,24?,25?,26?,27?,28?,29?/m1/s1
InChI Key
KZJWDPNRJALLNS-YYRRVRNASA-N
Formula
C29H50O
SMILES
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
Molecular Weight1
414.71
CAS
83-46-5
Other Names
  • (-)-«beta»-Sitosterol
  • (24R)-Ethylcholest-5-en-3«beta»-ol
  • (24R)-Stigmast-5-en-3«beta»-ol
  • .beta.-sitosterol
  • 22,23-Dihydrostigmasterol
  • 24«alpha»-Ethylcholesterol
  • 5-Cholesten-24«beta»-ethyl-3«beta»-ol
  • Angelicin
  • Angelicin (steroid)
  • Azuprostat
  • Cinchol
  • Cupreol
  • Harzol
  • NSC 18173
  • NSC 8096
  • Nimbosterol
  • Phytosterol
  • Prostasal
  • Quebrachol
  • Rhamnol
  • SKF 14463
  • Sito-Lande
  • Sitosterol
  • Sitosterol (24«beta»-ethylcholest-5-en-3«beta»-ol)
  • Sitosterol, «beta»
  • Stigmast-5-en-3-ol, (3«beta»)-
  • Stigmast-5-en-3«beta»-ol
  • Stigmasterol, 22,23-dihydro-
  • Triastonal
  • stigmast-5-en-3.beta.-ol
  • «DELTA»5-Stigmasten-3«beta»-ol
  • «alpha»-Dihydrofucosterol
  • «alpha»-Phytosterol
  • «beta»-Sitosterin
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Physical Properties

Property Value Unit Source
Δf 217.88 kJ/mol Joback Calculated Property
Δfgas -533.79 kJ/mol Joback Calculated Property
Δfus 37.87 kJ/mol Joback Calculated Property
Δvap 93.90 kJ/mol Joback Calculated Property
log10WS -8.59 Crippen Calculated Property
logPoct/wat 8.025 Crippen Calculated Property
McVol 377.600 ml/mol McGowan Calculated Property
Pc 959.10 kPa Joback Calculated Property
Inp [3173.00; 3243.00]   Show Hide
Inp 3201.00 NIST
Inp 3215.00 NIST
Inp 3197.00 NIST
Inp Outlier 3173.00 NIST
Inp 3228.00 NIST
Inp 3194.00 NIST
Inp Outlier 3243.00 NIST
Inp 3214.00 NIST
Inp 3201.00 NIST
Inp 3215.00 NIST
Inp 3230.00 NIST
Inp 3198.00 NIST
Inp 3199.00 NIST
Inp 3202.00 NIST
Inp 3203.00 NIST
Inp 3204.00 NIST
Inp 3203.00 NIST
Inp 3197.00 NIST
Inp 3187.00 NIST
Inp 3203.00 NIST
Inp 3220.00 NIST
Inp 3220.00 NIST
Inp 3193.00 NIST
Inp 3193.00 NIST
Tboil 992.70 K Joback Calculated Property
Tc 1218.50 K Joback Calculated Property
Tfus 534.93 K Joback Calculated Property
Vc 1.427 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1457.53; 1674.54] J/mol×K [992.70; 1218.50] Show Hide
Cp,gas 1457.53 J/mol×K 992.70 Joback Calculated Property
Cp,gas 1490.57 J/mol×K 1030.33 Joback Calculated Property
Cp,gas 1524.41 J/mol×K 1067.97 Joback Calculated Property
Cp,gas 1559.38 J/mol×K 1105.60 Joback Calculated Property
Cp,gas 1595.82 J/mol×K 1143.23 Joback Calculated Property
Cp,gas 1634.10 J/mol×K 1180.87 Joback Calculated Property
Cp,gas 1674.54 J/mol×K 1218.50 Joback Calculated Property
ΔsubH 143.80 ± 0.50 kJ/mol 399.50 NIST

Similar Compounds

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

Find more compounds similar to «beta»-Sitosterol.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.