Cholest-5-ene, 3-methoxy-, (3β)-
- Formula: C28H48O
- Molecular weight: 400.6801
- IUPAC Standard InChI: InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26H,7-9,11-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-/m0/s1
- IUPAC Standard InChIKey: RCXPTZJNVLDKKV-QKDFAWDSSA-N
- CAS Registry Number: 1174-92-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Cholest-5-ene, 3β-methoxy-; Cholesterin methyl ether; Cholesterol methyl ether; Cholesteryl methyl ether; 3β-Methoxycholest-5-ene; (3β)-3-Methoxycholest-5-ene; Cholest-5-en-3β-yl-methyl ether; 3-Methoxycholest-5-ene, (3β)-; 3-O-Methylcholesterol; NSC 95435
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Condensed phase thermochemistry data
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -155.9 ± 1.3 | kcal/mol | Ccb | Shoppee and Williams, 1956 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -4117.2 ± 1.2 | kcal/mol | Ccb | Shoppee and Williams, 1956 | Corresponding ΔfHºsolid = -155.8 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 3216.8 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
References
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shoppee and Williams, 1956
Shoppee, C.W.; Williams, D.F.,
Steroids and walden inversion. Part XXXII. The 3:5-cyclosteroid rearrangement,
J. Chem. Soc., 1956, 2488-2491. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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