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1H-Pyrido[3',4':5,6]cyclooct[1,2-b]indole, 4-ethyl-2,3,4,4a,5,6,7,13a-octahydro-2-methyl-, [4S-(4.alpha.,4a.alpha.,13a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1H-Pyrido[3',4':5,6]cyclooct[1,2-b]indole, 4-ethyl-2,3,4,4a,5,6,7,13a-octahydro-2-methyl-, [4S-(4.alpha.,4a.alpha.,13a.alpha.)]-
SpectraBase Compound ID CUUnnRjsW0E
InChI InChI=1S/C20H26N2/c1-3-14-12-22(2)13-15-8-9-18-17-6-4-5-7-19(17)21-20(18)11-10-16(14)15/h4-9,14-16,21H,3,10-13H2,1-2H3/b9-8-/t14-,15-,16+/m1/s1
InChIKey JWUZFVYTOYSBLZ-QEUCZHLPSA-N
Mol Weight 294.44 g/mol
Molecular Formula C20H26N2
Exact Mass 294.209599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 336g6lQ6Lj8
Name 1H-Pyrido[3',4':5,6]cyclooct[1,2-b]indole, 4-ethyl-2,3,4,4a,5,6,7,13a-octahydro-2-methyl-, [4S-(4.alpha.,4a.alpha.,13a.alpha.)]-
CAS Registry Number 57605-85-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2
InChI InChI=1S/C20H26N2/c1-3-14-12-22(2)13-15-8-9-18-17-6-4-5-7-19(17)21-20(18)11-10-16(14)15/h4-9,14-16,21H,3,10-13H2,1-2H3/b9-8-/t14-,15-,16+/m1/s1
InChIKey JWUZFVYTOYSBLZ-QEUCZHLPSA-N
Molecular Weight 294.442 g/mol
SMILES [nH]1c2c(c3c1CC[C@@]1([C@](\C=C/3)(CN(C[C@]1(CC)[H])C)[H])[H])cccc2
SPLASH splash10-00ll-0940000000-25ba00c0c50b2fea3819
Source of Spectrum B-28-1855-0
Synonyms (4S,4aS,13aS)-4-ethyl-2-methyl-2,3,4,4a,5,6,7,13a-octahydro-1H-pyrido[3',4':5,6]cycloocta[1,2-b]indole 4a.beta.,13a.alpha.-2-aza-4.beta.-ethyl-2-methyl-12-ene indolo[3,2-4,5]bicylo[6.4.0]dodecane Dideoxo lactam derivative of tabernaemontanine Dideoxolactam derivative of tabernaemontanine (isomer a)
Wiley ID 1297815