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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-, oxime, [1S-(1.alpha.,5.alpha.,14b.alpha.)]-
SpectraBase Compound ID AqUXp8m022m
InChI InChI=1S/C21H27N3O2/c1-3-21-10-13(8-14(11-21)23-25)12-24-7-6-16-17-9-15(26-2)4-5-18(17)22-19(16)20(21)24/h4-5,9,13,20,22,25H,3,6-8,10-12H2,1-2H3/b23-14+/t13-,20+,21-/m0/s1
InChIKey ONEAJNUWJZTYOY-JZQJVADUSA-N
Mol Weight 353.47 g/mol
Molecular Formula C21H27N3O2
Exact Mass 353.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AY30TgyGuF
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-, oxime, [1S-(1.alpha.,5.alpha.,14b.alpha.)]-
Alternate Name(s) (1S,2S,16R,18E)-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 oxime Voaketone lactam
CAS Registry Number 59347-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3O2
InChI InChI=1S/C21H27N3O2/c1-3-21-10-13(8-14(11-21)23-25)12-24-7-6-16-17-9-15(26-2)4-5-18(17)22-19(16)20(21)24/h4-5,9,13,20,22,25H,3,6-8,10-12H2,1-2H3/b23-14+/t13-,20+,21-/m0/s1
InChIKey ONEAJNUWJZTYOY-JZQJVADUSA-N
Molecular Weight 353.466 g/mol
SMILES [nH]1c2ccc(cc2c2CCN3[C@@]([C@@]4(C\C(=N\O)C[C@](C3)(C4)[H])CC)(c12)[H])OC
SPLASH splash10-0udi-0966000000-a9eae73424a3e8045eef
Source of Spectrum H-59-549-10
Wiley ID 1344064