For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,5-Methanoazocino[1',2':1,2]pyrido[3,4-b]indol-3(4H)-one, 1-ethyl-1,2,5,6,8,9,14,14b-octahydro-11-methoxy-, [1S-(1.alpha.,5.alpha.,14b.alpha.)]-
SpectraBase Compound ID 2uP4F6jyk7n
InChI InChI=1S/C21H26N2O2/c1-3-21-10-13(8-14(24)11-21)12-23-7-6-16-17-9-15(25-2)4-5-18(17)22-19(16)20(21)23/h4-5,9,13,20,22H,3,6-8,10-12H2,1-2H3/t13-,20+,21-/m0/s1
InChIKey MMMCTCHVHYJESX-DYXDTQHNSA-N
Mol Weight 338.45 g/mol
Molecular Formula C21H26N2O2
Exact Mass 338.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9MU9lu73Two
Name 1,5-Methanoazocino[1',2':1,2]pyrido[3,4-b]indol-3(4H)-one, 1-ethyl-1,2,5,6,8,9,14,14b-octahydro-11-methoxy-, [1S-(1.alpha.,5.alpha.,14b.alpha.)]-
CAS Registry Number 59433-61-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O2
InChI InChI=1S/C21H26N2O2/c1-3-21-10-13(8-14(24)11-21)12-23-7-6-16-17-9-15(25-2)4-5-18(17)22-19(16)20(21)23/h4-5,9,13,20,22H,3,6-8,10-12H2,1-2H3/t13-,20+,21-/m0/s1
InChIKey MMMCTCHVHYJESX-DYXDTQHNSA-N
Molecular Weight 338.451 g/mol
SMILES [nH]1c2ccc(cc2c2c1[C@]1(N(CC2)C[C@@]2(C[C@]1(CC(C2)=O)CC)[H])[H])OC
SPLASH splash10-000i-0239000000-2b6bc2de254d96d9e026
Source of Spectrum H-59-547-5
Synonyms (1S,2S,16R)-1-ethyl-8-methoxy-4,14-diazapentacyclo[14.3.1.0(2,14).0(3,11).0(5,10)]icosa-3(11),5,7,9-tetraen-18-one Voaketon Voaketone
Wiley ID 1334048