Products 16574-04-2

CAS 16574-04-2 is the registry number for 21-Dehydro-Cortisone. Offered by: Chemat Brand. Available pack sizes: on request.

21-Dehydro-Cortisone
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

21-dehydrocortisone is a C21-steroid that is cortisone in which the 21-hydroxy group has been oxidised to the corresponding aldehyde. It is a steroid aldehyde, a tertiary alpha-hydroxy ketone, a 17alpha-hydroxy steroid, a 20-oxo steroid, a 21-oxo steroid, an 11-oxo steroid, a 3-oxo-Delta(4) steroid and a C21-steroid. It is functionally related to a progesterone. It derives from a hydride of a 5alpha-pregnane.

Source: ChEBI

Identity
Molecular formulaC21H26O5
Molecular weight358.4 g/mol
IUPAC name2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
InChIKeyDJLICGGNASJAQR-ZPOLXVRWSA-N
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)C=O)O)C

Computed by PubChem (NCBI)

Synonyms: 21-dehydrocortisone, 17-hydroxy-3,11,20-trioxopregn-4-en-21-al, 21-Dehydro-Cortisone, Pregn-4-en-21-al,11,20-trioxo-, 4-pregnen-17alpha-ol-3,11,20-trione-21-al, 17alpha-hydroxypregn-4-en-3,11,20-trione-21-al
Isomers (same molecular formula)
3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol C21H26O5
(1S,2S,4R,6S,7S,9S,10S,11R)-9-hydroxy-6-(2-hydroxyacetyl)-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-12,15-dien-14-one C21H26O5
(8S,10S,13S,14S,16R,17S)-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C21H26O5
(3S,3aR,9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrofuro[3,2-g]isochromene-2,9-dione C21H26O5
(1S,2S,4R,8S,9S,11S,12S,13R)-6,11-dihydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-7,16-dione C21H26O5
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one C21H26O5
(1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one C21H26O5
2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C21H26O5
(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one C21H26O5
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C21H26O5
1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one C21H26O5
9-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)nonan-1-one C21H26O5