Chem
J-GLOBAL ID：200907008191363095   Nikkaji number：J5.725H

SH-741

酢酸クロメゲストン
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： C24H31ClO4
Molecular formula furigana： C24-H31-CL-O4
Molecular weight： 418.960
InChI： InChI=1S/C24H31ClO4/c1-13-10-19-17-12-21(25)20-11-16(28)6-8-22(20,4)18(17)7-9-23(19,5)24(13,14(2)26)29-15(3)27/h11-13,17-19H,6-10H2,1-5H3/t13-,17-,18+,19+,22-,23+,24+/m1/s1
InChI key： WWSKHPDYSWDMNC-YRNSVOBJSA-N
SMILES： C[C@@H]1C[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(=O)C)C(=O)C
Systematic name  (3)：
  • 6-クロロ-17-アセトキシ-16α-メチルプレグナ-4,6-ジエン-3,20-ジオン
  • (1R,2R,3aS,3bR,9aR,9bS,11aS)-1-アセチル-5-クロロ-2,9a,11a-トリメチル-7-オキソ-1H,2H,3H,3aH,3bH,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,2R,3aS,3bR,9aR,9bS,11aS)-1-acetyl-5-chloro-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
Other name (4)：
  • 酢酸クロメゲストン
  • SH-741
  • Clomegestone acetate
  • 6-Chloro-17-acetoxy-16α-methylpregna-4,6-diene-3,20-dione
CAS registry number： 424-89-5
KEGG DRUG： D03550
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