Products 131061-50-2

CAS 131061-50-2 appears in our catalog under these names: (3Alpha,5Alpha,11Beta)-3,11,17-trihydroxy-21-((tetrahydro-2H-pyran-2-yl)oxy)-pregnan-20-one, (3a,5a,11b)-3,11,17-trihydroxy-21-((tetrahydro-2H-pyran-2-yl)oxy)-pregnan-20-one. Offered by: TRC. Available pack sizes: 1mg, 2,5mg, 5mg.

(3Alpha,5Alpha,11Beta)-3,11,17-trihydroxy-21-((tetrahydro-2H-pyran-2-yl)oxy)-pregnan-20-one
TRC
  • size: 1mg, 2,5mg
  • Variants: 2
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(3a,5a,11b)-3,11,17-trihydroxy-21-((tetrahydro-2H-pyran-2-yl)oxy)-pregnan-20-one
TRC
  • size: 5mg
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

2-(oxan-2-yloxy)-1-[(3R,5S,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]ethanone (CAS 131061-50-2) is a chemical compound with the molecular formula C26H42O6 and a molecular weight of 450.6 g/mol. IUPAC name: 2-(oxan-2-yloxy)-1-[(3R,5S,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]ethanone. InChIKey: OHQWRQNVLXQWBD-CHNDTHCTSA-N.

Identity
Molecular formulaC26H42O6
Molecular weight450.6 g/mol
IUPAC name2-(oxan-2-yloxy)-1-[(3R,5S,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]ethanone
InChIKeyOHQWRQNVLXQWBD-CHNDTHCTSA-N
SMILESC[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC5CCCCO5)O)C)O)O

Computed by PubChem (NCBI)

Synonyms: (3a,5a,11b)-3,11,17-trihydroxy-21-[(tetrahydro-2H-pyran-2-yl)oxy]-pregnan-20-one
Isomers (same molecular formula)
methyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate C26H42O6
methyl (4R)-4-[(3S,5R,7R,10S,12S,13R,14S)-3-formyloxy-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C26H42O6