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(1S,2S)-1-((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-2-((4R,5R)-4,5-diphenyl-4,5-dihydro-isoxazol-3-yl)-2-((R)-methanesulfinyl)-ethanol

View entire compound with spectra: 2 MS (GC)

(1S,2S)-1-((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-2-((4R,5R)-4,5-diphenyl-4,5-dihydro-isoxazol-3-yl)-2-((R)-methanesulfinyl)-ethanol
SpectraBase Compound ID GhUl91VzzTs
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-NXASCRKNSA-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 9Z8GqZp7V2J
Name (1S,2S)-1-((R)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-2-((4R,5R)-4,5-diphenyl-4,5-dihydro-isoxazol-3-yl)-2-((R)-methanesulfinyl)-ethanol
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-NXASCRKNSA-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 splash10-0gbc-5890000000-30af590592411718eb92
Source of Spectrum QC-12-3452-13
Synonyms (1S,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(4R,5R)-4,5-diphenyl-4,5-dihydro-3-isoxazolyl]-2-(methylsulfinyl)ethanol (4R,5R)-Diphenyl-3-(2'-hydroxy-(3'R)-4'-isopropylidenedioxy-1'(Ss)-methylsulfinyl)butylisoxazoline isomer (Rs,4R,5R,1'S*,2'S,3'R)-4,5-Diphenyl-3-(2'-hydroxy-3',4'-isopropylidenedioxy-1'-methylsulfinyl)butylisoxazoline
Wiley ID 1634929