Chem
J-GLOBAL ID:200907028075132842   Nikkaji number:J1.071.499K

12-Methoxyibogamine-18-ol acetate

12-メトキシイボガミン-18-オールアセタート
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/c1-4-15-9-14-11-22(27-13(2)25)20-17(7-8-24(12-14)21(15)22)18-10-16(26-3)5-6-19(18)23-20/h5-6,10,14-15,21,23H,4,7-9,11-12H2,1-3H3/t14-,15+,21+,22-/m1/s1
InChI key: GEKCFNHQOLOMIP-CMLPYJLWSA-N
SMILES: CC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@](C2)(OC(=O)C)[C@H]13
Systematic name  (3):
  • 12-メトキシイボガミン-18-オールアセタート
  • (1S,15R,17S,18S)-17-エチル-7-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-1-イル アセタート
  • (1S,15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraen-1-yl acetate
Other name (1):
  • 12-Methoxyibogamine-18-ol acetate
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