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6H-Pyrido[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylic acid, 5,8,9,14,14a,15-hexahydro-5-hydroxy-, methyl ester

View entire compound with spectra: 1 MS (GC)

6H-Pyrido[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylic acid, 5,8,9,14,14a,15-hexahydro-5-hydroxy-, methyl ester
SpectraBase Compound ID AtyrXxg93wR
InChI InChI=1S/C21H21N3O3/c1-27-21(26)16-10-22-9-15-14(16)8-18-20-13(6-7-24(18)11-19(15)25)12-4-2-3-5-17(12)23-20/h2-5,9-10,18-19,23,25H,6-8,11H2,1H3
InChIKey ZPOUUMSSFPBHFP-UHFFFAOYSA-N
Mol Weight 363.42 g/mol
Molecular Formula C21H21N3O3
Exact Mass 363.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3t625X2xoO
Name 6H-Pyrido[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylic acid, 5,8,9,14,14a,15-hexahydro-5-hydroxy-, methyl ester
Alternate Name(s) Methyl 5-hydroxy-5,8,9,14,14b,15-hexahydro-6H-pyrido[4'',3'':4',5']azepino[1',2':1,2]pyrido[3,4-b]indole-1-carboxylate Nauclechine
CAS Registry Number 38940-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O3
InChI InChI=1S/C21H21N3O3/c1-27-21(26)16-10-22-9-15-14(16)8-18-20-13(6-7-24(18)11-19(15)25)12-4-2-3-5-17(12)23-20/h2-5,9-10,18-19,23,25H,6-8,11H2,1H3
InChIKey ZPOUUMSSFPBHFP-UHFFFAOYSA-N
Molecular Weight 363.417 g/mol
SMILES OC1CN2CCc3c4ccccc4[nH]c3C2Cc2c(cncc12)C(=O)OC
SPLASH splash10-03di-1906000000-06851687f5fbb7490936
Source of Spectrum EP-6095-0-0
Wiley ID 1350289