Chem
J-GLOBAL ID：200907098951363421   Nikkaji number：J7.160I

Tigestol

チゲストール
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： C20H28O
Molecular formula furigana： C20-H28-O
Molecular weight： 284.443
InChI： InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,16-18,21H,4-13H2,2H3/t16-,17-,18+,19+,20+/m1/s1
InChI key： DHOKBGHAEUVRMO-SLHNCBLASA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCC4=C3CCCC4)[C@@H]1CC[C@@]2(O)C#C
Systematic name  (3)：
  • (17R)-19-ノルプレグナ-5(10)-エン-20-イン-17-オール
  • (1R,3aS,3bR,9bS,11aS)-1-エチニル-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,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,9bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol
Other name (4)：
  • チゲストール
  • Tigestol
  • (17R)-19-Norpregn-5(10)-ene-20-yn-17-ol
  • (17R)-19-Norpregn-5(10)-en-20-yn-17-ol
CAS registry number： 896-71-9
KEGG DRUG： D06145
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