Chem
J-GLOBAL ID：201007014805500397   Nikkaji number：J2.781.924I

Phyllalbine

フィラルビン
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： C16H21NO4
Molecular formula furigana： C16-H21-N-O4
Molecular weight： 291.347
InChI： InChI=1S/C16H21NO4/c1-17-11-4-5-12(17)9-13(8-11)21-16(19)10-3-6-14(18)15(7-10)20-2/h3,6-7,11-13,18H,4-5,8-9H2,1-2H3/t11-,12+,13?
InChI key： OZKTVDIYALBSMA-FUNVUKJBSA-N
SMILES： COc1cc(ccc1O)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C
Systematic name  (1)：
  • 4-ヒドロキシ-3-メトキシ安息香酸(1R,5S)-8-メチル-8-アザビシクロ[3.2.1]オクタン-3α-イル
Other name (5)：
  • 4-Hydroxy-3-methoxybenzoic acid (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3α-yl ester
  • Phyllalbine
  • フィラルビン
  • Vanilloyltropine
  • バニロイルトロピン
CAS registry number： 4540-25-4
KEGG COMPOUND： C10863
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