Chem
J-GLOBAL ID：200907010168524647   Nikkaji number：J968.618E

(Z)-17-Deacetylnorgestimate

(Z)-17-デアセチルノルゲスチメート
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： C21H29NO2
Molecular formula furigana： C21-H29-N-O2
Molecular weight： 327.468
InChI： InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15-/t16-,17+,18+,19-,20-,21-/m0/s1
InChI key： ISHXLNHNDMZNMC-UGCMNZCRSA-N
SMILES： CC[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\O)/CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
Systematic name  (4)：
  • (3Z,17R)-13β-エチル-17-ヒドロキシ-18,19-ジノルプレグナ-4-エン-20-イン-3-オンオキシム
  • (17R)-17-ヒドロキシ-13-エチル-18,19-ジノルプレグナ-4-エン-20-イン-3-オン(Z)-オキシム
  • (1R,3aS,3bR,7Z,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-オール
  • (1R,3aS,3bR,7Z,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-ol
Other name (4)：
  • (3Z,17R)-13β-Ethyl-17-hydroxy-18,19-dinorpregna-4-ene-20-yne-3-oneoxime
  • (17R)-17-Hydroxy-13-ethyl-18,19-dinorpregna-4-ene-20-yne-3-one (Z)-oxime
  • (Z)-17-デアセチルノルゲスチメート
  • (Z)-17-Deacetylnorgestimate
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