Chem
J-GLOBAL ID：200907085279890014   Nikkaji number：J326.622B

Org-2058

Org-2058
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H32O3
Molecular formula furigana： C22-H32-O3
Molecular weight： 344.495
InChI： InChI=1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1
InChI key： IJLXLZGJDSJGIQ-BILPMHSYSA-N
SMILES： CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1C(=O)CO
Systematic name  (3)：
  • 16α-エチル-21-ヒドロキシ-19-ノルプレグナ-4-エン-3,20-ジオン
  • (1S,2R,3aS,3bR,9aR,9bS,11aS)-2-エチル-1-(2-ヒドロキシアセチル)-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1S,2R,3aS,3bR,9aR,9bS,11aS)-2-ethyl-1-(2-hydroxyacetyl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (4)：
  • Org-2058
  • ORG-2058
  • 16α-Ethyl-21-hydroxy-19-norpregn-4-ene-3,20-dione
  • Org2058
CAS registry number： 24320-06-7
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