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(4S,5S,1'R*,2S*,3'R)-4,5-Diphenyl-3-(2'-hydroxy-3',4'-isopropylidenedioxy-1'-methylsulfinyl)butylisoxazoline
SpectraBase Compound ID 40DO5lWvMEN
InChI InChI=1S/C23H27NO5S/c1-23(2)27-14-17(28-23)20(25)22(30(3)26)19-18(15-10-6-4-7-11-15)21(29-24-19)16-12-8-5-9-13-16/h4-13,17-18,20-22,25H,14H2,1-3H3/t17-,18+,20+,21-,22-,30?/m1/s1
InChIKey TZZTXVXPHVEQBT-BOKAATDVSA-N
Mol Weight 429.53 g/mol
Molecular Formula C23H27NO5S
Exact Mass 429.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NxHG691wO
Name (4S,5S,1'R*,2S*,3'R)-4,5-Diphenyl-3-(2'-hydroxy-3',4'-isopropylidenedioxy-1'-methylsulfinyl)butylisoxazoline
Alternate Name(s) (1S,2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(4S,5S)-4,5-diphenyl-4,5-dihydro-3-isoxazolyl]-2-(methylsulfinyl)ethanol (Rs,4S,5S,1'R*,2S*,3'R)-4,5-Diphenyl-3-(2'-hydroxy-3',4'-isopropylidenedioxy-1'-methylsulfinyl)butylisoxazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27NO5S
InChI InChI=1S/C23H27NO5S/c1-23(2)27-14-17(28-23)20(25)22(30(3)26)19-18(15-10-6-4-7-11-15)21(29-24-19)16-12-8-5-9-13-16/h4-13,17-18,20-22,25H,14H2,1-3H3/t17-,18+,20+,21-,22-,30?/m1/s1
InChIKey TZZTXVXPHVEQBT-BOKAATDVSA-N
Molecular Weight 429.531 g/mol
SMILES O[C@]([C@@](C1=NO[C@@]([C@]1(c1ccccc1)[H])(c1ccccc1)[H])([S@](=O)C)[H])([C@@]1(OC(C)(C)OC1)[H])[H]
SPLASH splash10-0f6x-9830000000-c32a6c0d8d35702bf244
Source of Spectrum QC-12-3452-8
Wiley ID 1634934