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(5R*,6S*,7R*)-5-isopropyl-6-methoxy-7-(phenylthiomethyl)tetrahydro-1Hpyrrolizin-3(2H)-one

View entire compound with spectra: 2 MS (GC)

(5R*,6S*,7R*)-5-isopropyl-6-methoxy-7-(phenylthiomethyl)tetrahydro-1Hpyrrolizin-3(2H)-one
SpectraBase Compound ID LrlKuKkNAc3
InChI InChI=1S/C18H25NO2S/c1-12(2)17-18(21-3)14(15-9-10-16(20)19(15)17)11-22-13-7-5-4-6-8-13/h4-8,12,14-15,17-18H,9-11H2,1-3H3/t14-,15?,17-,18+/m1/s1
InChIKey CGQJDULLERJRBY-DUZACMNTSA-N
Mol Weight 319.46 g/mol
Molecular Formula C18H25NO2S
Exact Mass 319.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NGwT4KjJo
Name (5R*,6S*,7R*)-5-isopropyl-6-methoxy-7-(phenylthiomethyl)tetrahydro-1Hpyrrolizin-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO2S
InChI InChI=1S/C18H25NO2S/c1-12(2)17-18(21-3)14(15-9-10-16(20)19(15)17)11-22-13-7-5-4-6-8-13/h4-8,12,14-15,17-18H,9-11H2,1-3H3/t14-,15?,17-,18+/m1/s1
InChIKey CGQJDULLERJRBY-DUZACMNTSA-N
Literature Reference DOI 10.1021/ol702017t
Molecular Weight 319.463 g/mol
SMILES [C@]1(N2C(CCC2=O)[C@]([C@@]1(OC)[H])(CSc1ccccc1)[H])(C(C)C)[H]
SPLASH splash10-001s-9420000000-d4962412d7671ee0081c
Source of Spectrum A1-9-4375/SM14-majordiastereomer16
Synonyms (5R,6S,7R)-5-isopropyl-6-methoxy-7-((phenylthio)methyl)tetrahydro-1H-pyrrolizin-3(2H)-one
Wiley ID 1758708