Chem
J-GLOBAL ID：200907081209681188   Nikkaji number：J724.300F

4,4,8-Trimethyl-6α-hydroxy-D(15),18-dinor-13,17-seco-5α-pregnane-13,20-dione

4,4,8-トリメチル-6α-ヒドロキシ-D(15),18-ジノル-13,17-セコ-5α-プレグナン-13,20-ジオン
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： C22H36O3
Molecular formula furigana： C22-H36-O3
Molecular weight： 348.527
InChI： InChI=1S/C22H36O3/c1-14(23)7-8-15-16(24)9-10-18-21(4)12-6-11-20(2,3)19(21)17(25)13-22(15,18)5/h15,17-19,25H,6-13H2,1-5H3/t15-,17+,18-,19+,21-,22+/m1/s1
InChI key： PHZFWTGDYWFBJZ-LWDRMUHESA-N
SMILES： CC(=O)CC[C@@H]1C(=O)CC[C@H]2[C@@]1(C)C[C@H](O)[C@H]1C(C)(C)CCC[C@]21C
Systematic name  (3)：
  • 4,4,8-トリメチル-6α-ヒドロキシ-D(15),18-ジノル-13,17-セコ-5α-プレグナン-13,20-ジオン
  • (1S,4aR,4bR,8aS,9S,10aR)-9-ヒドロキシ-4b,8,8,10a-テトラメチル-1-(3-オキソブチル)-テトラデカヒドロフェナントレン-2-オン
  • (1S,4aR,4bR,8aS,9S,10aR)-9-hydroxy-4b,8,8,10a-tetramethyl-1-(3-oxobutyl)-tetradecahydrophenanthren-2-one
Other name (1)：
  • 4,4,8-Trimethyl-6α-hydroxy-D(15),18-dinor-13,17-seco-5α-pregnane-13,20-dione
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