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(4S)-3-[(2R,3S,4R)-2-methyl-3-oxidanyl-4-phenylsulfanyl-heptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SpectraBase Compound ID EwZ3hAsqgR4
InChI InChI=1S/C20H29NO4S/c1-5-9-17(26-15-10-7-6-8-11-15)18(22)14(4)19(23)21-16(13(2)3)12-25-20(21)24/h6-8,10-11,13-14,16-18,22H,5,9,12H2,1-4H3/t14-,16-,17-,18+/m1/s1
InChIKey BGCQDOOOEDMTDY-DDBAPUKQSA-N
Mol Weight 379.52 g/mol
Molecular Formula C20H29NO4S
Exact Mass 379.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KRixRMr94v
Name (4S)-3-[(2R,3S,4R)-2-methyl-3-oxidanyl-4-phenylsulfanyl-heptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO4S
InChI InChI=1S/C20H29NO4S/c1-5-9-17(26-15-10-7-6-8-11-15)18(22)14(4)19(23)21-16(13(2)3)12-25-20(21)24/h6-8,10-11,13-14,16-18,22H,5,9,12H2,1-4H3/t14-,16-,17-,18+/m1/s1
InChIKey BGCQDOOOEDMTDY-DDBAPUKQSA-N
Molecular Weight 379.515 g/mol
SMILES O[C@@]([C@](C(N1C(OC[C@@]1(C(C)C)[H])=O)=O)(C)[H])([C@](Sc1ccccc1)(CCC)[H])[H]
SPLASH splash10-003r-1906000000-1f9b43ce0f1f6be6b909
Source of Spectrum KC-0-1938-8
Synonyms (4S)-3-[(2R,3S,4R)-3-hydroxy-2-methyl-1-oxo-4-(phenylthio)heptyl]-4-propan-2-yl-2-oxazolidinone (4S)-3-[(2R,3S,4R)-3-hydroxy-2-methyl-4-(phenylthio)heptanoyl]-4-isopropyl-oxazolidin-2-one (4S)-3-[(2R,3S,4R)-3-hydroxy-2-methyl-4-phenylsulfanyl-heptanoyl]-4-isopropyl-oxazolidin-2-one (4S)-3-[(2R,3S,4R)-3-hydroxy-2-methyl-4-phenylsulfanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
Wiley ID 786276