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(3S,4S,5R)-3,4-Dimethyl-5-phenylthio-2-[(4-tert-butyl-2-oxotetrahydro[1,3]oxazol)carbonyl]cyclohexanol
SpectraBase Compound ID DBlvucYdU72
InChI InChI=1S/C22H31NO4S/c1-13-14(2)19(16(24)11-17(13)28-15-9-7-6-8-10-15)20(25)23-18(22(3,4)5)12-27-21(23)26/h6-10,13-14,16-19,24H,11-12H2,1-5H3/t13-,14+,16?,17+,18?,19?/m0/s1
InChIKey HPZFDPYWJCHUSV-VUDRLDHSSA-N
Mol Weight 405.55 g/mol
Molecular Formula C22H31NO4S
Exact Mass 405.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SlRgmmj3I
Name (3S,4S,5R)-3,4-Dimethyl-5-phenylthio-2-[(4-tert-butyl-2-oxotetrahydro[1,3]oxazol)carbonyl]cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO4S
InChI InChI=1S/C22H31NO4S/c1-13-14(2)19(16(24)11-17(13)28-15-9-7-6-8-10-15)20(25)23-18(22(3,4)5)12-27-21(23)26/h6-10,13-14,16-19,24H,11-12H2,1-5H3/t13-,14+,16?,17+,18?,19?/m0/s1
InChIKey HPZFDPYWJCHUSV-VUDRLDHSSA-N
Molecular Weight 405.553 g/mol
SMILES OC1C(C(N2C(OCC2C(C)(C)C)=O)=O)[C@@]([C@](C)([C@@](C1)(Sc1ccccc1)[H])[H])(C)[H]
SPLASH splash10-0a4u-0930700000-07958352b0e091a6ce24
Source of Spectrum QE-8-2591-3
Synonyms 3,4-Dimethyl-5-phenylthio-2-[(4-tert-butyl-2-oxotetrahydro[1,3]oxazol)carbonyl]cyclohexanol 4-tert-Butyl-3-{[(2S,3S,4R)-6-hydroxy-2,3-dimethyl-4-(phenylsulfanyl)cyclohexyl]carbonyl}-1,3-oxazolidin-2-one
Wiley ID 1557691