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(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-(isopropylamino)-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-(isopropylamino)-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
SpectraBase Compound ID B5JkfRtoxhh
InChI InChI=1S/C22H38N2O/c1-14(2)23-18-8-7-16-15-6-9-19-22(4,13-11-20(25)24(19)5)17(15)10-12-21(16,18)3/h14-19,23H,6-13H2,1-5H3/t15-,16-,17-,18-,19+,21-,22+/m0/s1
InChIKey VPDFEKMOSOADPO-WREBCAICSA-N
Mol Weight 346.6 g/mol
Molecular Formula C22H38N2O
Exact Mass 346.298414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dOsqVvdNck
Name (1S,3as,3bs,5ar,9ar,9bs,11As)-1-(isopropylamino)-6,9A,11A-trimethyl-2,3,3A,3B,4,5,5A,8,9,9B,10,11-dodecahydro-1H-indeno[5,4-F]quinolin-7-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.298413851 u
Formula C22H38N2O
InChI InChI=1S/C22H38N2O/c1-14(2)23-18-8-7-16-15-6-9-19-22(4,13-11-20(25)24(19)5)17(15)10-12-21(16,18)3/h14-19,23H,6-13H2,1-5H3/t15-,16-,17-,18-,19+,21-,22+/m0/s1
InChIKey VPDFEKMOSOADPO-WREBCAICSA-N
Molecular Weight 346.559 g/mol
SMILES [C@@]12([C@](N(C)C(CC2)=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)(NC(C)C)[H])[H])[H])[H])C