Chem
J-GLOBAL ID：200907059836097208   Nikkaji number：J2.028.425K

(8aβ)-5α-(4-tert-Butylphenacyl)octahydroindolizine-1α,2α,8β-triol

(8aβ)-5α-(4-tert-ブチルフェナシル)オクタヒドロインドリジン-1α,2α,8β-トリオール
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： C20H29NO4
Molecular formula furigana： C20-H29-N-O4
Molecular weight： 347.455
InChI： InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15+,17+,18+,19+/m0/s1
InChI key： PKZGDTMZYSPKOW-ZPKKHLQPSA-N
SMILES： CC(C)(C)c1ccc(cc1)C(=O)C[C@@H]1CC[C@@H](O)[C@@H]2[C@H](O)[C@H](O)CN12
Systematic name  (4)：
  • (8aβ)-5α-(4-tert-ブチルフェナシル)オクタヒドロインドリジン-1α,2α,8β-トリオール
  • (1S)-5α-[2-(4-tert-ブチルフェニル)-2-オキソエチル]-1,2,3,5,6,7,8,8aβ-オクタヒドロインドリジン-1α,2α,8β-トリオール
  • 2-[(1S,2R,5S,8R,8aR)-1,2,8-トリヒドロキシ-オクタヒドロインドリジン-5-イル]-1-(4-tert-ブチルフェニル)エタン-1-オン
  • 2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxy-octahydroindolizin-5-yl]-1-(4-tert-butylphenyl)ethan-1-one
Other name (2)：
  • (8aβ)-5α-(4-tert-Butylphenacyl)octahydroindolizine-1α,2α,8β-triol
  • (1S)-5α-[2-(4-tert-Butylphenyl)-2-oxoethyl]-1,2,3,5,6,7,8,8aβ-octahydroindolizine-1α,2α,8β-triol
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