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(+)-(4R,5S)-3-{(2R.3S)-(E)-6-(2-Bromo-1-cyclohexanylidene)-5,5-(ethylidenedioxy)-3-hydroxy-2-methylhexanoyl}-4-methyl-5-phenyl-2-oxazolidinone

View entire compound with spectra: 1 MS (GC)

(+)-(4R,5S)-3-{(2R.3S)-(E)-6-(2-Bromo-1-cyclohexanylidene)-5,5-(ethylidenedioxy)-3-hydroxy-2-methylhexanoyl}-4-methyl-5-phenyl-2-oxazolidinone
SpectraBase Compound ID 2Ja0bBEP5WI
InChI InChI=1S/C25H30BrNO6/c1-16(23(29)27-17(2)22(33-24(27)30)18-8-4-3-5-9-18)21(28)15-25(31-12-13-32-25)14-19-10-6-7-11-20(19)26/h3-5,8-9,12-14,16-17,20-22,28H,6-7,10-11,15H2,1-2H3/b19-14+/t16-,17-,20?,21+,22-/m1/s1
InChIKey QHNDYDUMPVPWIU-ACVPNIKYSA-N
Mol Weight 520.42 g/mol
Molecular Formula C25H30BrNO6
Exact Mass 519.125651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTsHktvQ6l6
Name (+)-(4R,5S)-3-{(2R.3S)-(E)-6-(2-Bromo-1-cyclohexanylidene)-5,5-(ethylidenedioxy)-3-hydroxy-2-methylhexanoyl}-4-methyl-5-phenyl-2-oxazolidinone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30BrNO6
InChI InChI=1S/C25H30BrNO6/c1-16(23(29)27-17(2)22(33-24(27)30)18-8-4-3-5-9-18)21(28)15-25(31-12-13-32-25)14-19-10-6-7-11-20(19)26/h3-5,8-9,12-14,16-17,20-22,28H,6-7,10-11,15H2,1-2H3/b19-14+/t16-,17-,20?,21+,22-/m1/s1
InChIKey QHNDYDUMPVPWIU-ACVPNIKYSA-N
Molecular Weight 520.420 g/mol
SMILES O[C@@](CC1(\C=C\2C(Br)CCCC2)OC=CO1)([C@](C(N1C(O[C@]([C@]1(C)[H])(c1ccccc1)[H])=O)=O)(C)[H])[H]
SPLASH splash10-0udi-0000090000-16a208c30e6c77fdcd67
Source of Spectrum J-59-5605-37
Synonyms (4R,5S)-3-((2R,3S)-4-{2-[(E)-(2-bromocyclohexylidene)methyl]-1,3-dioxol-2-yl}-3-hydroxy-2-methylbutanoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
Wiley ID 1401818