Chem
J-GLOBAL ID：200907061839393155   Nikkaji number：J126.255F

Tussilagine

ツッシラギン
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： C10H17NO3
Molecular formula furigana： C10-H17-N-O3
Molecular weight： 199.250
InChI： InChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3/t7-,8+,10+/m0/s1
InChI key： LADVYSUMGRTFSZ-QXFUBDJGSA-N
SMILES： COC(=O)[C@H]1[C@@H]2CCCN2C[C@@]1(C)O
Systematic name  (3)：
  • [1S,7aα,(-)]-ヘキサヒドロ-2α-ヒドロキシ-2-メチル-1H-ピロリザイン-1α-カルボン酸メチル
  • メチル (1S,2S,7aS)-2-ヒドロキシ-2-メチル-ヘキサヒドロ-1H-ピロリジン-1-カルボキシラート
  • methyl (1S,2S,7aS)-2-hydroxy-2-methyl-hexahydro-1H-pyrrolizine-1-carboxylate
Other name (4)：
  • Tussilagine
  • ツシラギン
  • [1S,7aα,(-)]-Hexahydro-2α-hydroxy-2-methyl-1H-pyrrolizine-1α-carboxylic acid methyl ester
  • ツッシラギン
CAS registry number： 80151-77-5
KEGG COMPOUND： C10411
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