Chem
J-GLOBAL ID：200907003918955843   Nikkaji number：J2.766.805D

Thalicsessine

タリクセッシン
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： C22H27NO4
Molecular formula furigana： C22-H27-N-O4
Molecular weight： 369.461
InChI： InChI=1S/C22H27NO4/c1-11-9-21-10-14(25)16-20(2)4-3-5-22(16)17(21)15(26)12(11)8-13(21)18(22)23(6-7-24)19(20)27/h12-13,16-18,24H,1,3-10H2,2H3/t12-,13-,16-,17-,18-,20-,21+,22+/m1/s1
InChI key： SOOGRVQQQMCVQZ-CIIHXBACSA-N
SMILES： C[C@@]12CCC[C@]34[C@@H]([C@H]5C[C@@H]6C(=C)C[C@@]5(CC(=O)[C@H]13)[C@H]4C6=O)N(CCO)C2=O
Systematic name  (3)：
  • 21-(2-ヒドロキシエチル)-6,21-セコヘチサン-6,11,19-トリオン
  • (1S,5R,8R,9S,11R,14S,17S,18R)-7-(2-ヒドロキシエチル)-5-メチル-12-メチリデン-7-アザヘキサシクロ[9.6.2.01,8.05,17.09,14.014,18]ノナデカン-6,16,19-トリオン
  • (1S,5R,8R,9S,11R,14S,17S,18R)-7-(2-hydroxyethyl)-5-methyl-12-methylidene-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecane-6,16,19-trione
Other name (3)：
  • 21-(2-Hydroxyethyl)-6,21-secohetisan-6,11,19-trione
  • Thalicsessine
  • タリクセッシン
CAS registry number： 113807-86-6
KEGG COMPOUND： C08714
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