Products 4004-80-2

CAS 4004-80-2 appears in our catalog under these names: Tetrahydrocortisol 21-Acetate, Tetrahydrocortisol-d4 21-acetate. Offered by: TRC, Biosynth. Available pack sizes: 250mg, 25mg, 50mg, 100mg.

Tetrahydrocortisol 21-Acetate
TRC
  • size: 250mg, 25mg
  • Variants: 2
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Tetrahydrocortisol-d4 21-acetate
Biosynth
  • size: 50mg, 25mg, 100mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

[2-oxo-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate (CAS 4004-80-2) is a chemical compound with the molecular formula C23H36O6 and a molecular weight of 408.5 g/mol. IUPAC name: [2-oxo-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate. InChIKey: OJUZFZGYANUVTJ-YRZKEEBRSA-N.

Identity
Molecular formulaC23H36O6
Molecular weight408.5 g/mol
IUPAC name[2-oxo-2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate
InChIKeyOJUZFZGYANUVTJ-YRZKEEBRSA-N
SMILESCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)O

Computed by PubChem (NCBI)

Synonyms: Tetrahydrocortisol 21-Acetate, 3alpha,11beta,17-Trihydroxy-20-oxo-5beta-pregnan-21-yl acetate
Isomers (same molecular formula)
(3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid C23H36O6
[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate C23H36O6
[(1R,2R,3S,6R,7R,8R,9S,10S,11R)-2,10-dihydroxy-5,5,8-trimethylspiro[12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-9,2'-oxirane]-6-yl] octanoate C23H36O6