11Beta,17,20Beta,21-Tetrahydroxypregna-1,4-dien-3-one 21-Acetate

cas: 96346-38-2 — see every product listed under this CAS number, including other names

11Beta,17,20Beta,21-Tetrahydroxypregna-1,4-dien-3-one 21-Acetate (CAS 96346-38-2) is a chemical reagent available from Chemat. Available pack sizes: 250mg, 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-T296085-250MG
cas96346-38-2
size250mg
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Structural formula: {0} (CAS {1})

[(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 (CAS 96346-38-2) is a chemical compound with the molecular formula C23H32O6 and a molecular weight of 404.5 g/mol. IUPAC name: [(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. InChIKey: TYKFSLOWQCQNQJ-CGDAUVCTSA-N.

Identity
Molecular formulaC23H32O6
Molecular weight404.5 g/mol
IUPAC name[(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
InChIKeyTYKFSLOWQCQNQJ-CGDAUVCTSA-N
SMILESCC(=O)OC[C@H]([C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)O

Computed by PubChem (NCBI)

Synonyms: 11beta,17,20beta,21-Tetrahydroxypregna-1,4-dien-3-one 21-Acetate, 11b,17,20b,21-Tetrahydroxypregna-1,4-dien-3-one 21-Acetate, 21-(Acetyloxy)-11,17,20-trihydroxy-pregna-1,4-dien-3-one 21-Acetate, TYKFSLOWQCQNQJ-CGDAUVCTSA-N, (20R)-21-acetoxy-11beta, 17,20-trihydroxy-3-oxo-1,4-pregnadiene
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
[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
[(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
[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 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
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