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(2'R,3'S,5'S,4R,5S)-3-(3'-Hydroxy-5',6'-(isopropylidenedioxy)-2'-(methylthio)hexanoyl)-4-methyl-5-phenyl-2-oxazolidinone
SpectraBase Compound ID 1Ed0aiZOHHD
InChI InChI=1S/C20H27NO6S/c1-12-16(13-8-6-5-7-9-13)26-19(24)21(12)18(23)17(28-4)15(22)10-14-11-25-20(2,3)27-14/h5-9,12,14-17,22H,10-11H2,1-4H3/t12-,14+,15+,16-,17-/m1/s1
InChIKey MXSWOMCMXOJZNW-UVLCOCDESA-N
Mol Weight 409.5 g/mol
Molecular Formula C20H27NO6S
Exact Mass 409.155909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrV2eJ1lX5g
Name (2'R,3'S,5'S,4R,5S)-3-(3'-Hydroxy-5',6'-(isopropylidenedioxy)-2'-(methylthio)hexanoyl)-4-methyl-5-phenyl-2-oxazolidinone
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Formula C20H27NO6S
InChI InChI=1S/C20H27NO6S/c1-12-16(13-8-6-5-7-9-13)26-19(24)21(12)18(23)17(28-4)15(22)10-14-11-25-20(2,3)27-14/h5-9,12,14-17,22H,10-11H2,1-4H3/t12-,14+,15+,16-,17-/m1/s1
InChIKey MXSWOMCMXOJZNW-UVLCOCDESA-N
Molecular Weight 409.497 g/mol
SMILES O[C@]([C@](C(N1C(O[C@]([C@]1(C)[H])(c1ccccc1)[H])=O)=O)(SC)[H])(C[C@@]1(OC(C)(C)OC1)[H])[H]
SPLASH splash10-014r-9541000000-bfc841ecff5a891709af
Source of Spectrum J-57-2241-33
Synonyms (4R,5S)-3-[(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-(methylsulfanyl)butanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
Wiley ID 1373291