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(1'S,2'S,3'R,4S,5R)-4-[1'-Hydroxy-5'-[(phenylthio)methyl]-2',3'-(2"-propylidenedioxy)-5'-hexenyl]-5-methyl-2-oxazolidenone

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(1'S,2'S,3'R,4S,5R)-4-[1'-Hydroxy-5'-[(phenylthio)methyl]-2',3'-(2"-propylidenedioxy)-5'-hexenyl]-5-methyl-2-oxazolidenone
SpectraBase Compound ID I2JPc0sPbvQ
InChI InChI=1S/C20H27NO5S/c1-12(11-27-14-8-6-5-7-9-14)10-15-18(26-20(3,4)25-15)17(22)16-13(2)24-19(23)21-16/h5-9,13,15-18,22H,1,10-11H2,2-4H3,(H,21,23)/t13-,15-,16-,17+,18-/m1/s1
InChIKey HHXIEWAAVRDCBB-FXXCCUJSSA-N
Mol Weight 393.5 g/mol
Molecular Formula C20H27NO5S
Exact Mass 393.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NB58oNieEI
Name (1'S,2'S,3'R,4S,5R)-4-[1'-Hydroxy-5'-[(phenylthio)methyl]-2',3'-(2"-propylidenedioxy)-5'-hexenyl]-5-methyl-2-oxazolidenone
Alternate Name(s) (1'S,2'S,3'R,4S,5R)-4-[1'-Hydroxy-5'-[(phenylthio)methyl]-2',3'-(2''-propylidenedioxy)-5'-hexenyl]-5-methyl-2-oxazolidenone (1S)-4,5-dideoxy-5-methylene-2,3-O-(1-methylethylidene)-1-C-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-6-S-phenyl-6-thio-D-erythro-hexitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO5S
InChI InChI=1S/C20H27NO5S/c1-12(11-27-14-8-6-5-7-9-14)10-15-18(26-20(3,4)25-15)17(22)16-13(2)24-19(23)21-16/h5-9,13,15-18,22H,1,10-11H2,2-4H3,(H,21,23)/t13-,15-,16-,17+,18-/m1/s1
InChIKey HHXIEWAAVRDCBB-FXXCCUJSSA-N
Molecular Weight 393.498 g/mol
SMILES N1[C@@]([C@@]([C@]2([C@](OC(O2)(C)C)(CC(=C)CSc2ccccc2)[H])[H])(O)[H])([C@](OC1=O)(C)[H])[H]
SPLASH splash10-03du-0609000000-afc823721a760d3b1201
Source of Spectrum J-59-4237-29
Wiley ID 1366238