Chem
J-GLOBAL ID：200907052662384887   Nikkaji number：J61.643E

Cetadiol

セタジオール
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： C19H30O2
Molecular formula furigana： C19-H30-O2
Molecular weight： 290.447
InChI： InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14+,15+,16-,17-,18+,19-/m0/s1
InChI key： CVCDJRPXEWJAAY-UVSUZTNJSA-N
SMILES： C[C@@]12C[C@H](O)C[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2
Systematic name  (3)：
  • アンドロスタ-5-エン-3β,16α-ジオール
  • (2R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-2,7-ジオール
  • (2R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,7-diol
Other name (3)：
  • セタジオール
  • Cetadiol
  • Androst-5-ene-3β,16α-diol
CAS registry number： 3642-89-5
Regulation number (1)：
  • BV8090000
KEGG COMPOUND： C14631
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