Chem
J-GLOBAL ID：200907083191326582   Nikkaji number：J20.502H

Senaetnin

セネトニン
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： C20H23NO7
Molecular formula furigana： C20-H23-N-O7
Molecular weight： 389.404
InChI： InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5-/t11-,15+,20-/m1/s1
InChI key： NTGIQQBAUYBEBF-ZCXFZNNUSA-N
SMILES： C/C=C\1/C[C@@H](C)[C@@](C)(OC(=O)C)C(=O)OCc2ccn3C(=O)C[C@H](OC1=O)c23
Systematic name  (3)：
  • (7β)-12-アセトキシ-3,8-ジデヒドロセネシオナン-5,11,16-トリオン
  • (1S,4Z,6R,7R)-4-エチリデン-6,7-ジメチル-3,8,15-トリオキソ-2,9-ジオキサ-14-アザトリシクロ[9.5.1.014,17]ヘプタデカ-11(17),12-ジエン-7-イル アセタート
  • (1S,4Z,6R,7R)-4-ethylidene-6,7-dimethyl-3,8,15-trioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadeca-11(17),12-dien-7-yl acetate
Other name (5)：
  • セネトニン
  • セナエトニン
  • Senaetnin
  • (7β)-12-Acetoxy-3,8-didehydrosenecionan-5,11,16-trione
  • Senaetnine
CAS registry number： 64191-69-1
KEGG COMPOUND： C10386
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