(11Beta,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al

cas: 105562-12-7 — see every product listed under this CAS number, including other names

(11Beta,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al (CAS 105562-12-7) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: TRC.

brandTRC
catalog numberTRC-D453905-10MG
cas105562-12-7
size10mg
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Structural formula: {0} (CAS {1})

(2E)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde (CAS 105562-12-7) is a chemical compound with the molecular formula C21H28O4 and a molecular weight of 344.4 g/mol. IUPAC name: (2E)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde. InChIKey: JVIOAMIJLAYISK-GTILSLFGSA-N.

Identity
Molecular formulaC21H28O4
Molecular weight344.4 g/mol
IUPAC name(2E)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde
InChIKeyJVIOAMIJLAYISK-GTILSLFGSA-N
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]\4([C@H]3CC/C4=C(/C=O)\O)C)O

Computed by PubChem (NCBI)

Synonyms: (11b,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al, Hydrocortisone (E)-17-Deoxyaldehyde Derivative, (11beta,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al
Related forms of this compound
(2Z)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde C21H28O4
Isomers (same molecular formula)
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C21H28O4
2-[(8S,9R,10R,11S,13S,14R,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C21H28O4
(6S,8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid C21H28O4
(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O4
2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid C21H28O4
(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one C21H28O4
(7R,8S,9S,10S,13S,14S,17R)-17-ethynyl-10-hydroperoxy-17-hydroxy-7,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H28O4
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O4
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O4
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol C21H28O4
(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione C21H28O4

Also listed as

Cortisol Impurity 1 ((E)-17-Deoxyaldehyde Derivative) Chemat Brand CAS 105562-12-7
(11b,17E)-11,20-dihydroxy-3-oxo-pregna-4,17(20)-dien-21-al TRC CAS 105562-12-7