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1H-5,8a-Propanoquinolin-7(8H)-one, 1-acetylhexahydro-8-(3-methoxypropyl)-10-methyl-, (4a.alpha.,5.alpha.,8.alpha.,8a.alpha.,10S*)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1H-5,8a-Propanoquinolin-7(8H)-one, 1-acetylhexahydro-8-(3-methoxypropyl)-10-methyl-, (4a.alpha.,5.alpha.,8.alpha.,8a.alpha.,10S*)-(.+-.)-
SpectraBase Compound ID AdE1TBn9XmC
InChI InChI=1S/C19H31NO3/c1-13-10-15-11-18(22)17(7-5-9-23-3)19(12-13)16(15)6-4-8-20(19)14(2)21/h13,15-17H,4-12H2,1-3H3/t13-,15+,16-,17+,19-/m0/s1
InChIKey XCRMUWHXCCRJRL-BJZZIADLSA-N
Mol Weight 321.46 g/mol
Molecular Formula C19H31NO3
Exact Mass 321.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30wtNUi5FBS
Name 1H-5,8a-Propanoquinolin-7(8H)-one, 1-acetylhexahydro-8-(3-methoxypropyl)-10-methyl-, (4a.alpha.,5.alpha.,8.alpha.,8a.alpha.,10S*)-(.+-.)-
CAS Registry Number 80485-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NO3
InChI InChI=1S/C19H31NO3/c1-13-10-15-11-18(22)17(7-5-9-23-3)19(12-13)16(15)6-4-8-20(19)14(2)21/h13,15-17H,4-12H2,1-3H3/t13-,15+,16-,17+,19-/m0/s1
InChIKey XCRMUWHXCCRJRL-BJZZIADLSA-N
Molecular Weight 321.461 g/mol
SMILES [C@]123N(C(=O)C)CCC[C@]3([C@](CC([C@]1(CCCOC)[H])=O)([H])C[C@@](C2)(C)[H])[H]
SPLASH splash10-0f96-0933000000-afd25709d61f1ae67602
Source of Spectrum C-104-1066-0
Synonyms (1S,6S,7R,10S,12S)-2-acetyl-10-(3-methoxypropyl)-12-methyl-2-azatricyclo[5.3.3.0(1,6)]tridecan-9-one (4aRS,5SR,8SR,8aSR,10RS)-1-acetyl-8-(3-methoxypropyl)-10-methylhexahydro-1H-5,8a-propanoquinolin-7(8H)-one
Wiley ID 1321024