9a,11a,12a,12b-d4 Cortisol 21-Acetate

cas: 134331-54-7 — see every product listed under this CAS number, including other names

9a,11a,12a,12b-d4 Cortisol 21-Acetate (CAS 134331-54-7) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-H714621-100MG
cas134331-54-7
size100mg
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Structural formula: {0} (CAS {1})

[2-oxo-2-[(8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate (CAS 134331-54-7) is a chemical compound with the molecular formula C23H32O6 and a molecular weight of 408.5 g/mol. IUPAC name: [2-oxo-2-[(8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate. InChIKey: ALEXXDVDDISNDU-LPXHYCATSA-N.

Identity
Molecular formulaC23H32O6
Molecular weight408.5 g/mol
IUPAC name[2-oxo-2-[(8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate
InChIKeyALEXXDVDDISNDU-LPXHYCATSA-N
SMILES[2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)COC(=O)C)O

Computed by PubChem (NCBI)

Synonyms: 9a,11a,12a,12b-d4 Cortisol 21-Acetate
Related forms of this compound
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H32O6
[2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H32O6
Isomers (same molecular formula)
(3R,6aS,11aS)-3,4a,7a-trihydroxy-10a-methyl-9-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,6a,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[b]phenanthrene-11b-carbaldehyde C23H32O6
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C23H32O6
[2-[(5R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H32O6
[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate C23H32O6
[2-[(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H32O6
[(2R)-2-hydroxy-2-[(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]ethyl] acetate C23H32O6
[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-oxo-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate C23H32O6
[(2R)-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-hydroxyethyl] acetate C23H32O6
1419705-13-7 C23H32O6
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E)-7-hydroxyocta-2,4-dienoate C23H32O6