Chem
J-GLOBAL ID：200907041785310398   Nikkaji number：J9.333E

Tabernanthine

タベルナンチン
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： C20H26N2O
Molecular formula furigana： C20-H26-N2-O
Molecular weight： 310.441
InChI： InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1
InChI key： UCIDWKVIQZIKEK-CFDPKNGZSA-N
SMILES： CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2cc(OC)ccc12
Systematic name  (3)：
  • 13-メトキシイボガミン
  • (1R,15R,17S,18S)-17-エチル-6-メトキシ-3,13-ジアザペンタシクロ[13.3.1.02,10.04,9.013,18]ノナデカ-2(10),4,6,8-テトラエン
  • (1R,15R,17S,18S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
Other name (3)：
  • タベルナンチン
  • Tabernanthine
  • 13-Methoxyibogamine
CAS registry number： 83-94-3
KEGG COMPOUND： C09274
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