Stigmasterol
- Formula: C29H48O
- Molecular weight: 412.6908
- IUPAC Standard 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
- IUPAC Standard InChIKey: HCXVJBMSMIARIN-BASBAMEESA-N
- CAS Registry Number: 83-48-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Stigmasta-5,22-dien-3-ol, (3β,22E)-; Stigmasta-5,22-dien-3β-ol; β-Stigmasterol; (24S)-5,22-Stigmastadien-3β-ol; Stigmasta-5,22-dien-3-ol, (3β)-; Stigmasterin; 5,22-Cholestadien-24-ethyl-3β-ol; Δ5,22-Stigmastadien-3β-ol; Stigmasta-5,22-dien-3-ol; NSC 8095; Phytosterol; I-Stigmasterol; (22E)-Stigmasta-5,22-dien-3-ol
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Phase change data
Go To: Top, Mass spectrum (electron ionization), 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 by: William E. Acree, Jr., James S. Chickos
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 40.25 ± 0.33 | 390. to 417. | ME | Oja, Chen, et al., 2009 |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| NIST MS number | 352610 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
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. | 3148. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
| Packed | SE-30 | 240. | 3170. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
| Packed | SE-30 | 250. | 3172. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
| Packed | E-301 | 210. | 3143. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
| Packed | E-301 | 220. | 3138. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
| Packed | E-301 | 220. | 3166. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
| Packed | E-301 | 230. | 3142. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
| Packed | E-301 | 230. | 3191. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
| Packed | E-301 | 240. | 3164. | Keiser, Retunskii, et al., 1990 | N2; Column length: 1.2 m |
| Capillary | CP Sil 5 CB | 270. | 3213. | van Gelder, Jonker, et al., 1988 | 50. m/0.22 mm/0.12 μm, H2 |
| Packed | SE-30 | 230. | 3148. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
| Packed | SE-30 | 240. | 3170. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
| Packed | SE-30 | 250. | 3172. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
| Packed | SE-30 | 240. | 3140. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
| Packed | SE-30 | 240. | 3142. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
| Packed | SE-30 | 240. | 3145. | Keiser, Yazlovetsky, et al., 1986 | N2; Column length: 1.2 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 3248.6 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 3170. | 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 | HP-5 MS | 3170. | 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 | 3170. | El-Shazily, Hafez, et al., 2004 | Program: not specified | |
| Capillary | OV-1 | 3170. | 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) |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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]
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]
van Gelder, Jonker, et al., 1988
van Gelder, W.M.J.; Jonker, H.H.; Huizing, H.J.; Scheffer, J.J.C.,
Capillary gas chromatography of steroidal alkaloids from Solanaceae. Retention indices and simultaneous flame ionization/nitrogen-specific detection,
J. Chromatogr., 1988, 442, 133-145, https://doi.org/10.1016/S0021-9673(00)94463-7
. [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]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [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]
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]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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