5beta-Pregnan-3alpha,17alpha,21-triol-11,20-dione-9,12,12,21,21-d5, 98 atom % D, min 96% Chemical Purity

cas: 1485501-48-1 — see every product listed under this CAS number, including other names

5beta-Pregnan-3alpha,17alpha,21-triol-11,20-dione-9,12,12,21,21-d5, 98 atom % D, min 96% Chemical Purity (CAS 1485501-48-1) is a chemical reagent available from Chemat. Available pack sizes: 0,005g. Offered by: CDN.

brandCDN
catalog numberCDN-D-6590-0.005G
cas1485501-48-1
size0,005g
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properties

purity98 atom % D, min 96% Chemical Purity
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(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 (CAS 1485501-48-1) is a chemical compound with the molecular formula C21H32O5 and a molecular weight of 369.5 g/mol. IUPAC name: (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. InChIKey: SYGWGHVTLUBCEM-VFFMWAQASA-N.

Identity
Molecular formulaC21H32O5
Molecular weight369.5 g/mol
IUPAC name(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
InChIKeySYGWGHVTLUBCEM-VFFMWAQASA-N
SMILES[2H][C@]12[C@@H](CC[C@H]3[C@@]1(CC[C@H](C3)O)C)[C@@H]4CC[C@@]([C@]4(C(C2=O)([2H])[2H])C)(C(=O)C([2H])([2H])O)O

Computed by PubChem (NCBI)

Synonyms: Tetrahydro Cortisone-d5, 5beta-Pregnan-3alpha,17alpha,21-triol-11,20-dione-9,12,12,21,21-d5, Tetrahydrocortisone-9,12,12,21,21-d5, 98 atom % D
Related forms of this compound
(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
(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
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
(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
(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
(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 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

Tetrahydrocortisone-d5-1 MedChemExpress CAS 1485501-48-1
Tetrahydro Cortisone-d5 TRC CAS 1485501-48-1