Chem
J-GLOBAL ID：200907064623795126   Nikkaji number：J2.731.741C

Dyscusin B

ジスクシン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/c1-4-14-17(22)10-16-13-6-5-12-9-18(23)19(24)11-21(12,3)15(13)7-8-20(14,16)2/h5,13-16,18-19,23-24H,4,6-11H2,1-3H3/t13-,14+,15+,16+,18-,19-,20-,21+/m1/s1
InChI key： YTQZNHMIWHSKRR-CRNNROHXSA-N
SMILES： CC[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • 2α,3β-ジヒドロキシプレグナ-5-エン-16-オン
  • 2α,3β-ジヒドロキシ-17β-エチルアンドロスタ-5-エン-16-オン
  • (1R,3aS,3bS,7R,8R,9aR,9bS,11aS)-1-エチル-7,8-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,7R,8R,9aR,9bS,11aS)-1-ethyl-7,8-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 (4)：
  • 2α,3β-Dihydroxypregna-5-ene-16-one
  • 2α,3β-Dihydroxy-17β-ethylandrosta-5-ene-16-one
  • ジスクシンB
  • Dyscusin B
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