β-Sitosterol
- Formula: C29H50O
- Molecular weight: 414.7067
- IUPAC Standard InChIKey: KZJWDPNRJALLNS-YYRRVRNASA-N
- CAS Registry Number: 83-46-5
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Stigmast-5-en-3-ol, (3β)-; Stigmast-5-en-3β-ol; α-Dihydrofucosterol; β-Sitosterin; Angelicin; Angelicin (steroid); Cinchol; Cupreol; Quebrachol; Rhamnol; Stigmasterol, 22,23-dihydro-; SKF 14463; 22,23-Dihydrostigmasterol; 24α-Ethylcholesterol; α-Phytosterol; Sitosterol; Harzol; Sito-Lande; Sitosterol, β; Triastonal; Δ5-Stigmasten-3β-ol; 5-Cholesten-24β-ethyl-3β-ol; (-)-β-Sitosterol; (24R)-Ethylcholest-5-en-3β-ol; (24R)-Stigmast-5-en-3β-ol; Azuprostat; Nimbosterol; NSC 18173; NSC 8096; Prostasal; Sitosterol (24β-ethylcholest-5-en-3β-ol); Phytosterol
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Phase change data
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
34.4 ± 0.1 | 389. to 410. | ME | Oja, Chen, et al., 2009 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.6931 | 342.7 | crystaline, II | crystaline, I | Petropavlov, Tsygankova, et al., 1988 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.0 | 342.7 | crystaline, II | crystaline, I | Petropavlov, Tsygankova, et al., 1988 | DH |
Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 | 230. | 3201. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
Packed | SE-30 | 240. | 3215. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
Packed | E-301 | 210. | 3197. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
Packed | E-301 | 220. | 3173. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
Packed | E-301 | 220. | 3228. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
Packed | E-301 | 230. | 3194. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
Packed | E-301 | 230. | 3243. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
Packed | E-301 | 240. | 3214. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
Packed | SE-30 | 230. | 3201. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
Packed | SE-30 | 240. | 3215. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
Packed | SE-30 | 250. | 3230. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
Packed | SE-30 | 240. | 3198. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
Packed | SE-30 | 240. | 3199. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
Packed | SE-30 | 240. | 3202. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
Packed | SE-30 | 240. | 3203. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
Packed | SE-30 | 240. | 3204. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 3203. | Xu, Han, et al., 2012 | 30. m/0.25 mm/0.25 μm, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | DB-5 MS | 3197. | Stojanovic, RAdulovic, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | HP-5 MS | 3187. | Radulovic, Blagojevic, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | HP-5 MS | 3203. | Xu, Han, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 3220. | El-Shazily, Hafez, et al., 2004 | Program: not specified | |
Capillary | OV-1 | 3220. | El-Shazly and Hussein, 2004 | He; Column length: 15. m; Column diameter: 0.317 mm; Program: 50C(4min) => 4C/min => 90C => 10C/min => 300C(10min) |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 3193. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Other | Methyl Silicone | 3193. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Oja, Chen, et al., 2009
Oja, Vahur; Chen, Xu; Hajaligol, Mohammad R.; Chan, W. Geoffrey,
Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol, β-Sitosterol, and Stigmasterol,
J. Chem. Eng. Data, 2009, 54, 3, 730-734, https://doi.org/10.1021/je800395m
. [all data]
Petropavlov, Tsygankova, et al., 1988
Petropavlov, N.N.; Tsygankova, I.G.; Teslenko, L.A.,
Microcalorimetric investigation of polymorphic transitions in organic crystals,
Sov. Phys. Crystallogr., 1988, 33(6), 853-855. [all data]
Keiser, Retunskii, et al., 1990
Keiser, L.S.; Retunskii, V.N.; Yazlovetskii, I.G.,
Gas chromatographic identification of sterols in insects. Estimation of retention data reproducibility,
Zh. Anal. Khim., 1990, 45, 1767-1773. [all data]
Keiser, Yazlovetsky, et al., 1986
Keiser, L.S.; Yazlovetsky, I.G.; Retunsky, V.N.,
Gas-chromatographic indentification of sterols in insects with the use of two-dimentional three-phase diagrams plotted on the basis of logarithmic retention indices,
J. Anal. Chem. USSR (Engl. Transl.), 1986, 41, 9, 1166-1172. [all data]
Xu, Han, et al., 2012
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K.,
Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus, 2012, retrieved from http://www.thefreelibrary.com/Comparative .... [all data]
Stojanovic, RAdulovic, et al., 2011
Stojanovic, I.Z.; RAdulovic, N.S.; Mitrovic, Y.L.J.; Stamenkovic, S.M.; Stojanovic, G.S.,
Volatile constituents of selected Parmeliaceae lichens,
J. Serb. Chem. Soc., 2011, 76, 7, 987-994, https://doi.org/10.2298/JSC101004087S
. [all data]
Radulovic, Blagojevic, et al., 2009
Radulovic, N.S.; Blagojevic, P.D.; Palic, R.M.; Zlatkovic, B.K.; Stevanovic, B.M.,
Volatiles from vegetative organs of the paleoendemic resurrection plants Ramonda serbica Panc. and Ramonda nathaliae Panc. at Petrov,
J. Serb. Chem. Soc., 2009, 74, 1, 35-44, https://doi.org/10.2298/JSC0901035R
. [all data]
Xu, Han, et al., 2009
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K.,
Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus,
Phytomedicine: Int. J. Phytotherapy Phytopharmacology, 2009, 16, 6-7, 609-616, https://doi.org/10.1016/j.phymed.2009.03.014
. [all data]
El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M.,
Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt,
Pharmazie, 2004, 59, 226-230. [all data]
El-Shazly and Hussein, 2004
El-Shazly, A.M.; Hussein, K.T.,
Chemical analysis and biological activities of the essential oil of Teucrium leucocladum Boiss. (Lamiaceae),
Biochem. Syst. Ecol., 2004, 32, 7, 665-674, https://doi.org/10.1016/j.bse.2003.12.009
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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