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(1S,2R,4S,1'S,2'R,4'S)-N-{2-(2'-Hydroxy-7',7'-dimethylbicyclo[2.2.1]hept-1'-ylmethylsulfonamidomethyl)benzyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide
SpectraBase Compound ID 8smufZEWohm
InChI InChI=1S/C28H44N2O6S2/c1-25(2)21-10-12-27(25,23(31)14-21)18-38(35,36)29-16-19-8-6-7-9-20(19)17-30(37(5,33)34)28-13-11-22(15-24(28)32)26(28,3)4/h6-9,21-24,29,31-32H,10-18H2,1-5H3/t21-,22-,23+,24+,27+,28+/m0/s1
InChIKey UIMXGSDNWIALQU-XGWIELIWSA-N
Mol Weight 568.8 g/mol
Molecular Formula C28H44N2O6S2
Exact Mass 568.264079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83Y5wYdbMv4
Name (1S,2R,4S,1'S,2'R,4'S)-N-{2-(2'-Hydroxy-7',7'-dimethylbicyclo[2.2.1]hept-1'-ylmethylsulfonamidomethyl)benzyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44N2O6S2
InChI InChI=1S/C28H44N2O6S2/c1-25(2)21-10-12-27(25,23(31)14-21)18-38(35,36)29-16-19-8-6-7-9-20(19)17-30(37(5,33)34)28-13-11-22(15-24(28)32)26(28,3)4/h6-9,21-24,29,31-32H,10-18H2,1-5H3/t21-,22-,23+,24+,27+,28+/m0/s1
InChIKey UIMXGSDNWIALQU-XGWIELIWSA-N
Molecular Weight 568.788 g/mol
SMILES N(S(C[C@@]12[C@@](C[C@](C2(C)C)([H])CC1)(O)[H])(=O)=O)Cc1c(CN([C@@]23[C@@](C[C@](C3(C)C)([H])CC2)(O)[H])S(=O)(=O)C)cccc1
SPLASH splash10-0159-7908000000-28ee7539f733d3260861
Source of Spectrum KD-14-1111-9
Synonyms [(1S,2R,4S)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]-N-(2-{[[(1S,2R,4S)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl](methylsulfonyl)amino]methyl}benzyl)methanesulfonamide
Wiley ID 1636014