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anti-(4S)-3-[(2R,3S)-3-Hydroxy-2-methyl-1-oxo-3-(1-phenylsulfanylcyclododecyl)propyl]-4-(1-methylethyl)-1,3-dioxazolidin-2-one
SpectraBase Compound ID 3QqqaBN3OSD
InChI InChI=1S/C28H43NO4S/c1-21(2)24-20-33-27(32)29(24)26(31)22(3)25(30)28(34-23-16-12-11-13-17-23)18-14-9-7-5-4-6-8-10-15-19-28/h11-13,16-17,21-22,24-25,30H,4-10,14-15,18-20H2,1-3H3/t22-,24-,25+/m1/s1
InChIKey DXSVGYDHHIOLQM-GPXOXTDOSA-N
Mol Weight 489.7 g/mol
Molecular Formula C28H43NO4S
Exact Mass 489.29128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uImVXxi77v
Name anti-(4S)-3-[(2R,3S)-3-Hydroxy-2-methyl-1-oxo-3-(1-phenylsulfanylcyclododecyl)propyl]-4-(1-methylethyl)-1,3-dioxazolidin-2-one
Alternate Name(s) (4S)-3-{(2R,3S)-3-hydroxy-2-methyl-3-[1-(phenylsulfanyl)cyclododecyl]propanoyl}-4-isopropyl-1,3-oxazolidin-2-one (4S)-3-[(2R,3S)-3-hydroxy-2-methyl-1-oxo-3-[1-(phenylthio)cyclododecyl]propyl]-4-propan-2-yl-2-oxazolidinone (4S)-3-[(2R,3S)-3-hydroxy-2-methyl-3-(1-phenylsulfanylcyclododecyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (4S)-3-[(2R,3S)-3-hydroxy-2-methyl-3-(1-phenylsulfanylcyclododecyl)propanoyl]-4-isopropyl-oxazolidin-2-one (4S)-3-[(2R,3S)-2-methyl-3-oxidanyl-3-(1-phenylsulfanylcyclododecyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
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Formula C28H43NO4S
InChI InChI=1S/C28H43NO4S/c1-21(2)24-20-33-27(32)29(24)26(31)22(3)25(30)28(34-23-16-12-11-13-17-23)18-14-9-7-5-4-6-8-10-15-19-28/h11-13,16-17,21-22,24-25,30H,4-10,14-15,18-20H2,1-3H3/t22-,24-,25+/m1/s1
InChIKey DXSVGYDHHIOLQM-GPXOXTDOSA-N
Molecular Weight 489.715 g/mol
SMILES O[C@](C1(Sc2ccccc2)CCCCCCCCCCC1)([C@](C(N1C(OC[C@@]1(C(C)C)[H])=O)=O)(C)[H])[H]
SPLASH splash10-03fr-0292100000-c76e7d27de4b0c700db0
Source of Spectrum KC-0-2415-11
Wiley ID 784306