(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al
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(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al
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CAS No:
14760-49-7
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Formula:
C21H28O5
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Chemical Name:
(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al
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Synonyms:
Pregn-4-en-21-al,11,17-dihydroxy-3,20-dioxo-,(11β)-;Pregn-4-en-21-al,11β,17-dihydroxy-3,20-dioxo-;4-Pregnen-21-al,11,17-dihydroxy-3,20-dioxo-;(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al;Cortisol-21-aldehyde;Cortisol,21-dehydro-;21-Dehydrocortisol;11β,17-Dihydroxy-3,20-dioxopregn-4-en-21-al;Dehydrocortisol;11β,17-Dihydroxy-4-pregnene-3,20,21-trione;NSC 15472
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CAS No:
Description
Off-White to Pale Yellow SolidChEBI: A C21-steroid that is cortisol in which the 21-hydroxy group has been oxidised to the corresponding aldehyde.
21-dehydrocortisol is a C21-steroid that is cortisol in which the 21-hydroxy group has been oxidised to the corresponding aldehyde. It is a 21-oxo steroid, a 20-oxo steroid, a 3-oxo-Delta(4) steroid, an 11beta-hydroxy steroid, a 17alpha-hydroxy steroid, a C21-steroid, a steroid aldehyde and a tertiary alpha-hydroxy ketone. It derives from a progesterone. It derives from a hydride of a 5alpha-pregnane.
Characteristics
91.7
1.9
1.28±0.1 g/cm3(Predicted)
154-156°C
536.1±50.0 °C(Predicted)
292.1ºC
1.586
-20°C Freezer
9.95E-14mmHg at 25°C
(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al Use and Manufacturing
A degradation product of Hydrocortisone (H714615).
Computed Properties
Molecular Weight:360.4
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:360.19367399
Monoisotopic Mass:360.19367399
Topological Polar Surface Area:91.7
Heavy Atom Count:26
Complexity:711
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(11β)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-al
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