Chem
J-GLOBAL ID：200907031928424530   Nikkaji number：J2.941F

Senecionine

セネシオニン
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： C18H25NO5
Molecular formula furigana： C18-H25-N-O5
Molecular weight： 335.400
InChI： InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1
InChI key： HKODIGSRFALUTA-JTLQZVBZSA-N
SMILES： C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
Systematic name  (3)：
  • 12-ヒドロキシセネシオナン-11,16-ジオン
  • (1R,4Z,6R,7R,17R)-4-エチリデン-7-ヒドロキシ-6,7-ジメチル-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-エン-3,8-ジオン
  • (1R,4Z,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Other name (5)：
  • アウレイン
  • セネシオニン
  • Aureine
  • Senecionine
  • 12-Hydroxysenecionan-11,16-dione
CAS registry number： 130-01-8
Regulation number (1)：
  • VT5710000
KEGG COMPOUND： C06176
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