Chem
J-GLOBAL ID：200907018513914896   Nikkaji number：J107.294C

16α-Methylyohimban

16α-メチルヨヒンバン
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： C20H26N2
Molecular formula furigana： C20-H26-N2
Molecular weight： 294.442
InChI： InChI=1S/C20H26N2/c1-13-5-4-6-14-12-22-10-9-16-15-7-2-3-8-18(15)21-20(16)19(22)11-17(13)14/h2-3,7-8,13-14,17,19,21H,4-6,9-12H2,1H3/t13-,14-,17+,19-/m0/s1
InChI key： NAAXUJVMRKKKAH-PDVMFTSQSA-N
SMILES： C[C@H]1CCC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Systematic name  (3)：
  • 16α-メチルヨヒンバン
  • (1S,15R,19S,20R)-19-メチル-3,13-ジアザペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-2(10),4,6,8-テトラエン
  • (1S,15R,19S,20R)-19-methyl-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene
Other name (1)：
  • 16α-Methylyohimban
CAS registry number： 549-76-8
Regulation number (1)：
  • ZG1240000
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