Chem
J-GLOBAL ID：200907051381394453   Nikkaji number：J945.320B

Org-4333

11β-(クロロメチル)エストラ-1,3,5(10)-トリエン-3,17β-ジオール
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： C19H25ClO2
Molecular formula furigana： C19-H25-CL-O2
Molecular weight： 320.860
InChI： InChI=1S/C19H25ClO2/c1-19-9-12(10-20)18-14-5-3-13(21)8-11(14)2-4-15(18)16(19)6-7-17(19)22/h3,5,8,12,15-18,21-22H,2,4,6-7,9-10H2,1H3/t12-,15+,16+,17+,18-,19+/m1/s1
InChI key： CADGCTOWBAPSFQ-OQFXVXKWSA-N
SMILES： C[C@]12C[C@H](CCl)[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Systematic name  (3)：
  • 11β-(クロロメチル)エストラ-1,3,5(10)-トリエン-3,17β-ジオール
  • (1S,3aS,3bS,9bR,10S,11aS)-10-(クロロメチル)-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,7-ジオール
  • (1S,3aS,3bS,9bR,10S,11aS)-10-(chloromethyl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (2)：
  • Org-4333
  • 11β-(Chloromethyl)estra-1,3,5(10)-triene-3,17β-diol
CAS registry number： 71794-60-0
KEGG COMPOUND： C14307
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM