Chem
J-GLOBAL ID：200907012524073992   Nikkaji number：J968.604E

syn-Norgestimate

syn-ノルゲスチマート
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： C23H31NO3
Molecular formula furigana： C23-H31-N-O3
Molecular weight： 369.505
InChI： InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1
InChI key： KIQQMECNKUGGKA-NMYWJIRASA-N
SMILES： CC[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/O)/CC[C@H]34)[C@@H]1CC[C@@]2(OC(=O)C)C#C
Systematic name  (3)：
  • (3E,17R)-17-アセトキシ-13-エチル-18,19-ジノルプレグナ-4-エン-20-イン-3-オンオキシム
  • (1R,3aS,3bR,7E,9aR,9bS,11aS)-11a-エチル-1-エチニル-7-(ヒドロキシイミノ)-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-1-イル アセタート
  • (1R,3aS,3bR,7E,9aR,9bS,11aS)-11a-ethyl-1-ethynyl-7-(hydroxyimino)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
Other name (3)：
  • (3E,17R)-17-Acetoxy-13-ethyl-18,19-dinorpregna-4-ene-20-yne-3-oneoxime
  • syn-ノルゲスチマート
  • syn-Norgestimate
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