Deoxycorticosterone
- Formula: C21H30O3
- Molecular weight: 330.4611
- IUPAC Standard InChI: InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m1/s1
- IUPAC Standard InChIKey: ZESRJSPZRDMNHY-VQBCACJISA-N
- CAS Registry Number: 64-85-7
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Pregn-4-ene-3,20-dione, 21-hydroxy-; 11-Deoxycorticosterone; Cortexone; Corticosterone, 11-deoxy-; Deoxycortone; Desoxycorticosterone; Desoxycortone; DOC; Kendall's Desoxy compound B; Reichstein's substance Q; 11-Dehydroxycorticosterone; 11-Desoxycorticosterone; 21-Hydroxyprogesterone; 4-Pregnen-21-ol-3,20-dione; Progesterone, 21-hydroxy-; 21-Hydroxypregn-4-ene-3,20-dione; NSC 11319
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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 |
|---|---|---|---|---|---|
| ΔcH°solid | -12030. ± 4. | kJ/mol | Ccb | Paoli, Garrigues, et al., 1969 | Corresponding ΔfHºsolid = -519. kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change 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: William E. Acree, Jr., James S. Chickos
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference |
|---|---|---|
| 27.98 | 414. | Regosz, Chmielewska, et al., 1994 |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- SOLID (KBr PELLET); PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (0.2M IN CHCl3); PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
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 | Japan AIST/NIMC Database- Spectrum MS-NW-6959 |
| NIST MS number | 235904 |
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 | 3106.6 | 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, Phase change data, IR Spectrum, 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.
Paoli, Garrigues, et al., 1969
Paoli, D.; Garrigues, J.-C.; Patin, H.,
Combustion microcalorimetry: application to steroids,
C. R. Acad. Sci. Paris, 1969, 268, 780-783. [all data]
Regosz, Chmielewska, et al., 1994
Regosz, A.; Chmielewska, A.; Pelplinska, T.; Kowalski, P.,
Prediction of the solubility of steroid hormones,
Pharmazie, 1994, 49, 5, 371. [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, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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