Chem
J-GLOBAL ID:200907038547281540   Nikkaji number:J16.287F

(S)-Autumnaline

(S)-アウツムナリン
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: C21H27NO5
Molecular formula furigana: C21-H27-N-O5
Molecular weight: 373.449
InChI: InChI=1S/C21H27NO5/c1-22-8-7-14-11-19(25-2)17(23)12-15(14)16(22)6-5-13-9-18(24)21(27-4)20(10-13)26-3/h9-12,16,23-24H,5-8H2,1-4H3/t16-/m0/s1
InChI key: GZUNPCNPOLOTLX-INIZCTEOSA-N
SMILES: COc1cc2CCN(C)[C@@H](CCc3cc(O)c(OC)c(OC)c3)c2cc1O
Systematic name  (3):
  • [1S,(-)]-1,2,3,4-テトラヒドロ-1-[2-(3-ヒドロキシ-4,5-ジメトキシフェニル)エチル]-6-メトキシ-2-メチルイソキノリン-7-オール
  • (1S)-1-[2-(3-ヒドロキシ-4,5-ジメトキシフェニル)エチル]-6-メトキシ-2-メチル-1,2,3,4-テトラヒドロイソキノリン-7-オール
  • (1S)-1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Other name (9):
  • アウツムナリン
  • オウタムナリン
  • (-)-アウツムナリン
  • (-)-オウタムナリン
  • Autumnaline
Show all
CAS registry number: 23068-65-7
KEGG COMPOUND: C16707
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