Chem
J-GLOBAL ID：200907031846827733   Nikkaji number：J2.052.701C

Siculine

シクリン
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： C16H19NO3
Molecular formula furigana： C16-H19-N-O3
Molecular weight： 273.332
InChI： InChI=1S/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,11,15,18-19H,4-5,7,9H2,1H3/t11-,15-,16-/m0/s1
InChI key： TZTBAJFJEZRQCV-UVBJJODRSA-N
SMILES： COc1cc2c(CN3CC[C@]42C=C[C@H](O)C[C@H]34)cc1O
Systematic name  (1)：
  • (3R)-9-メトキシ-5,10bα-エタノ-3,4,4aβ,5,6,10b-ヘキサヒドロフェナントリジン-3α,8-ジオール
Other name (5)：
  • (3R)-9-Methoxy-5,10bα-ethano-3,4,4aβ,5,6,10b-hexahydrophenanthridine-3α,8-diol
  • シクリン
  • Siculine
  • (+)-シクリン
  • (+)-Siculine
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