Chem
J-GLOBAL ID：200907076845024061   Nikkaji number：J5.985D

Cephaeline

セファエリン
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： C28H38N2O4
Molecular formula furigana： C28-H38-N2-O4
Molecular weight： 466.622
InChI： InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1
InChI key： DTGZHCFJNDAHEN-OZEXIGSWSA-N
SMILES： CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(O)c(OC)cc12
Systematic name  (3)：
  • 7′,10,11-トリメトキシエメタン-6′-オール
  • (1R)-1-{[(2S,3R,11bS)-3-エチル-9,10-ジメトキシ-1H,2H,3H,4H,6H,7H,11bH-ピリド[2,1-a]イソキノリン-2-イル]メチル}-7-メトキシ-1,2,3,4-テトラヒドロイソキノリン-6-オール
  • (1R)-1-{[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-yl]methyl}-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Other name (12)：
  • セフェリン
  • Cephaeline
  • 7′,10,11-Trimethoxyemetan-6′-ol
  • Desmethylemetine
  • Cepheline
Show all
CAS registry number： 483-17-0
Regulation number (1)：
  • EINECS2075916
KEGG COMPOUND： C09390
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