Products 203850-92-4

CAS 203850-92-4 appears in our catalog under these names: 5a–Pregnane–3,20–dione–d6, 5a-Pregnane-3,20-dione-d6, 99.0%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 10mg, 5mg, 10 mg, 1 mg, 5 mg.

5a–Pregnane–3,20–dione–d6
GLPBio
  • size: 10mg, 5mg
  • Variants: 2
from 2773.47
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5a-Pregnane-3,20-dione-d6, 99.0%
MedChemExpress
  • size: 10 mg, 1 mg, 5 mg
  • Variants: 3
from 886.26
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Structural formula: {0} (CAS {1})

(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-1,2,4,5,6,7-hexadeuterio-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one (CAS 203850-92-4) is a chemical compound with the molecular formula C21H32O2 and a molecular weight of 322.5 g/mol. IUPAC name: (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-1,2,4,5,6,7-hexadeuterio-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one. InChIKey: XMRPGKVKISIQBV-CTWQKYLNSA-N.

Identity
Molecular formulaC21H32O2
Molecular weight322.5 g/mol
IUPAC name(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-1,2,4,5,6,7-hexadeuterio-10,13-dimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
InChIKeyXMRPGKVKISIQBV-CTWQKYLNSA-N
SMILES[2H]C1[C@H]2[C@@H]3CC[C@@H]([C@]3(CC[C@@H]2[C@]4(C(C(C(=O)C([C@@]4(C1[2H])[2H])[2H])[2H])[2H])C)C)C(=O)C

Computed by PubChem (NCBI)

Synonyms: 5a-Pregnane-3,20-dione-d6, 5a-Pregnane-320-dione-d6, 5-Alpha-Pregnane-3,20-Dione (1,2,4,5,6,7-D6, 95%)
Related forms of this compound
(5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one C21H32O2
(5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one C21H32O2
(5R,8R,9S,10S,13S,14S,17S)-2,2,4,4,17-pentadeuterio-10,13-dimethyl-17-(2,2,2-trideuterioacetyl)-5,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O2
Isomers (same molecular formula)
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol C21H32O2
ethyl (4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenoate C21H32O2
(8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H32O2
(8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H32O2
1-[(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C21H32O2
1-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone C21H32O2
(3S,5R,8R,9R,10S,13S,14S,17R)-13-ethyl-17-ethynyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol C21H32O2
(3R,5R,8R,9R,10S,13S,14S,17R)-13-ethyl-17-ethynyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol C21H32O2
(8R,9S,10R,13S,14S,17S)-17-hydroxy-4,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H32O2