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1H-5,8a-Propanoquinolin-7(8H)-one, 1-acetyl-8-butylhexahydro-10-methyl-, (4a.alpha.,5.alpha.,8.alpha.,8a.alpha.,10R*)-(.+-.)-
SpectraBase Compound ID 3HBAwsIsWLF
InChI InChI=1S/C19H31NO2/c1-4-5-7-17-18(22)11-15-10-13(2)12-19(17)16(15)8-6-9-20(19)14(3)21/h13,15-17H,4-12H2,1-3H3/t13-,15-,16+,17-,19+/m1/s1
InChIKey BXZUIVRXTHKEJV-YRHQEJDOSA-N
Mol Weight 305.46 g/mol
Molecular Formula C19H31NO2
Exact Mass 305.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qDzFqm9TmM
Name 1H-5,8a-Propanoquinolin-7(8H)-one, 1-acetyl-8-butylhexahydro-10-methyl-, (4a.alpha.,5.alpha.,8.alpha.,8a.alpha.,10R*)-(.+-.)-
CAS Registry Number 80471-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NO2
InChI InChI=1S/C19H31NO2/c1-4-5-7-17-18(22)11-15-10-13(2)12-19(17)16(15)8-6-9-20(19)14(3)21/h13,15-17H,4-12H2,1-3H3/t13-,15-,16+,17-,19+/m1/s1
InChIKey BXZUIVRXTHKEJV-YRHQEJDOSA-N
Molecular Weight 305.462 g/mol
SMILES [C@]123N(C(=O)C)CCC[C@]3([C@](CC([C@]1(CCCC)[H])=O)([H])C[C@](C2)(C)[H])[H]
SPLASH splash10-0nml-0963000000-9cb96e050928f641af02
Source of Spectrum C-104-1066-0
Synonyms (1S,6S,7R,10S,12R)-2-acetyl-10-butyl-12-methyl-2-azatricyclo[5.3.3.0(1,6)]tridecan-9-one (4aRS,5SR,8SR,8aRS,10RS)-1-acetyl-8-butyl-10-methylhexahydro-1H-5,8a-propanoquinolin-7(8H)-one
Wiley ID 1307462