Chem
J-GLOBAL ID：200907004637873216   Nikkaji number：J1.266.981J

(2α,4α,5β,6α)-21-Methoxyibogamine-18β-carboxylic acid methyl ester

(2α,4α,5β,6α)-21-メトキシイボガミン-18β-カルボン酸メチル
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： C22H28N2O3
Molecular formula furigana： C22-H28-N2-O3
Molecular weight： 368.477
InChI： InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3/t14-,15+,20+,22-/m0/s1
InChI key： DTJQBBHYRQYDEG-RLHIPHHXSA-N
SMILES： COCC[C@@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC
Systematic name  (3)：
  • (2α,4α,5β,6α)-21-メトキシイボガミン-18β-カルボン酸メチル
  • メチル (1R,15S,17S,18R)-17-(2-メトキシエチル)-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-1-カルボキシラート
  • methyl (1R,15S,17S,18R)-17-(2-methoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Other name (1)：
  • (2α,4α,5β,6α)-21-Methoxyibogamine-18β-carboxylic acid methyl ester
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