5alpha-Pregnan-11beta,17alpha,21-triol-3,20-dione-1,2,4,5-d4, 94 atom % D, min 98% Chemical Purity

cas: 252976-11-7 — see every product listed under this CAS number, including other names

5alpha-Pregnan-11beta,17alpha,21-triol-3,20-dione-1,2,4,5-d4, 94 atom % D, min 98% Chemical Purity (CAS 252976-11-7) is a chemical reagent available from Chemat. Available pack sizes: 0,01g, 0,005g. Offered by: CDN.

brandCDN
catalog numberCDN-D-6114-0.01G
cas252976-11-7
size0,01g
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properties

purity94 atom % D, min 98% Chemical Purity
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(5S,8S,9S,10S,11S,13S,14S,17R)-1,2,4,5-tetradeuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one (CAS 252976-11-7) is a chemical compound with the molecular formula C21H32O5 and a molecular weight of 368.5 g/mol. IUPAC name: (5S,8S,9S,10S,11S,13S,14S,17R)-1,2,4,5-tetradeuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one. InChIKey: ACSFOIGNUQUIGE-ARCBVMEUSA-N.

Identity
Molecular formulaC21H32O5
Molecular weight368.5 g/mol
IUPAC name(5S,8S,9S,10S,11S,13S,14S,17R)-1,2,4,5-tetradeuterio-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
InChIKeyACSFOIGNUQUIGE-ARCBVMEUSA-N
SMILES[2H]C1C([C@@]2([C@@H]3[C@@H](CC[C@]2(C(C1=O)[2H])[2H])[C@@H]4CC[C@@]([C@]4(C[C@@H]3O)C)(C(=O)CO)O)C)[2H]

Computed by PubChem (NCBI)

Synonyms: 5alpha-Pregnan-11beta,17alpha,21-triol-3,20-dione-1,2,4,5-d4
Related forms of this compound
(5R,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
(5S,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
Isomers (same molecular formula)
(8S,9S,10R,11S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
(3R,5R,8S,9S,10S,13R,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one C21H32O5
1-[(1R,2S,5S,6S,9R,11R,14S,15S,16S)-11,18-dihydroxy-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-2-yl]-2-hydroxyethanone C21H32O5
(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one C21H32O5
(8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O5
(3R,5S,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one C21H32O5
(3R,5R,8S,9S,10S,13S,14S,17R)-9,12,12-trideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-11-one C21H32O5
2-hydroxy-1-[(3S,8S,9S,10R,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone C21H32O5
[(1R,4S,4aS,8aS)-4-hydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] (2E,4E)-hexa-2,4-dienoate C21H32O5
1-[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-8,9,14-trihydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]ethanone C21H32O5

Also listed as

5α-Pregnan-11β,17α,21-triol-3,20-dione-1,2,4,5-d4 MedChemExpress CAS 252976-11-7