Chem
J-GLOBAL ID：200907092403909051   Nikkaji number：J2.733.872K

Testolate

テストラート
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： C19H28O4
Molecular formula furigana： C19-H28-O4
Molecular weight： 320.429
InChI： InChI=1S/C19H28O4/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2,23)16(14)5-6-17(21)22/h11,14-16,23H,3-10H2,1-2H3,(H,21,22)/t14-,15+,16+,18+,19+/m1/s1
InChI key： KMUJXIPRPXRPTP-DZBHQSCQSA-N
SMILES： C[C@]1(O)CC[C@H]2[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]1CCC(=O)O
Systematic name  (3)：
  • 13-ヒドロキシ-3-オキソ-13,17-セコアンドロスタ-4-エン-17-酸
  • 3-[(1S,2S,4aS,4bR,10aR)-2-ヒドロキシ-2,4b-ジメチル-7-オキソ-1,2,3,4,4a,4b,5,6,7,9,10,10a-ドデカヒドロフェナントレン-1-イル]プロパン酸
  • 3-[(1S,2S,4aS,4bR,10aR)-2-hydroxy-2,4b-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl]propanoic acid
Other name (3)：
  • 13-Hydroxy-3-oxo-13,17-secoandrosta-4-ene-17-oic acid
  • Testolate
  • テストラート
KEGG COMPOUND： C01618
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