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N-{3-(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 FSsJxZiU6Lw
InChI InChI=1S/C28H44N2O6S2/c1-25(2)21-8-10-27(25,23(31)13-21)17-37(33,34)29-15-19-6-5-7-20(12-19)16-30-38(35,36)18-28-11-9-22(14-24(28)32)26(28,3)4/h5-7,12,21-24,29-32H,8-11,13-18H2,1-4H3/t21-,22-,23?,24?,27-,28-/m0/s1
InChIKey PLTKBGLXMWKVOG-PXPDDGFYSA-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 Gz2MoU5ZQL6
Name N-{3-(2'-Hydroxy-7',7'-dimethylbicyclo[2.2.1]hept-1'-ylmethylsulfonamidomethyl)benzyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide
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Formula C28H44N2O6S2
InChI InChI=1S/C28H44N2O6S2/c1-25(2)21-8-10-27(25,23(31)13-21)17-37(33,34)29-15-19-6-5-7-20(12-19)16-30-38(35,36)18-28-11-9-22(14-24(28)32)26(28,3)4/h5-7,12,21-24,29-32H,8-11,13-18H2,1-4H3/t21-,22-,23?,24?,27-,28-/m0/s1
InChIKey PLTKBGLXMWKVOG-PXPDDGFYSA-N
Molecular Weight 568.788 g/mol
SMILES OC1C[C@]2(C([C@]1(CS(NCc1cc(CNS(C[C@]34C(C[C@](C4(C)C)([H])CC3)O)(=O)=O)ccc1)(=O)=O)CC2)(C)C)[H]
SPLASH splash10-00kr-0902000000-3c1e60935a325be65546
Source of Spectrum KD-14-1112-12
Synonyms (1S,2R,4S,1'S,2'S,4'S)-N-{3-(2'-Hydroxy-7',7'-dimethylbicyclo[2.2.1]hept-1'-ylmethylsulfonamidomethyl)benzyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide (2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl)-N-{3-[({[(2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl)methyl]sulfonyl}amino)methyl]benzyl}methanesulfonamide
Wiley ID 1636009