Chem
J-GLOBAL ID：200907042841107394   Nikkaji number：J2.536.353A

Ekeberin B

エケベリンB
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： C21H32O3
Molecular formula furigana： C21-H32-O3
Molecular weight： 332.484
InChI： InChI=1S/C21H32O3/c1-4-13-18(23)11-16-12-5-6-15-19(24)17(22)8-10-21(15,3)14(12)7-9-20(13,16)2/h6,12-14,16-17,19,22,24H,4-5,7-11H2,1-3H3/t12-,13+,14+,16+,17+,19-,20-,21-/m1/s1
InChI key： JPSDYJDPCBWUOC-CBVOCQBDSA-N
SMILES： CC[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 3β,4β-ジヒドロキシプレグナ-5-エン-16-オン
  • (1R,3aS,3bS,6R,7S,9aR,9bS,11aS)-1-エチル-6,7-ジヒドロキシ-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-オン
  • (1R,3aS,3bS,6R,7S,9aR,9bS,11aS)-1-ethyl-6,7-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-one
Other name (3)：
  • 3β,4β-Dihydroxypregna-5-ene-16-one
  • エケベリンB
  • Ekeberin B
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