Chem
J-GLOBAL ID：201007003878128850   Nikkaji number：J2.794.492B

13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5α-androstan-17-oic acid δ-lactone

13-ヒドロキシ-2-(ヒドロキシメチレン)-3-オキソ-13,17-セコ-5α-アンドロスタン-17-酸δ-ラクトン
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： C20H28O4
Molecular formula furigana： C20-H28-O4
Molecular weight： 332.440
InChI： InChI=1S/C20H28O4/c1-19-10-12(11-21)17(22)9-13(19)3-4-14-15(19)7-8-20(2)16(14)5-6-18(23)24-20/h11,13-16,21H,3-10H2,1-2H3/t13-,14+,15-,16-,19-,20-/m0/s1
InChI key： IAEXPESVUCYINT-VEEKTTQZSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C(=CO)C[C@]34C)[C@@H]1CCC(=O)O2
Systematic name  (3)：
  • 13-ヒドロキシ-2-(ヒドロキシメチレン)-3-オキソ-13,17-セコ-5α-アンドロスタン-17-酸δ-ラクトン
  • (4aS,4bR,6aS,10aS,10bS,12aS)-9-(ヒドロキシメチリデン)-10a,12a-ジメチル-ヘキサデカヒドロ-2H-フェナントロ[2,1-b]ピラン-2,8-ジオン
  • (4aS,4bR,6aS,10aS,10bS,12aS)-9-(hydroxymethylidene)-10a,12a-dimethyl-hexadecahydro-2H-phenanthro[2,1-b]pyran-2,8-dione
Other name (2)：
  • 13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5α-androstane-17-oic acid δ-lactone
  • 13-Hydroxy-2-(hydroxymethylene)-3-oxo-13,17-seco-5α-androstan-17-oic acid δ-lactone
KEGG COMPOUND： C15459
Thsaurus map：
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