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(M,1R,2S,4R,1'R,2'R,4'R)-N-{1-[2-(2'-Hydroxy-7',7'-dimethylbicyclo[2.2.1]hept-1'-ylmethylsulfonamido)-1-naphthyl]-2-naphthyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide

View entire compound with spectra: 1 MS (GC)

(M,1R,2S,4R,1'R,2'R,4'R)-N-{1-[2-(2'-Hydroxy-7',7'-dimethylbicyclo[2.2.1]hept-1'-ylmethylsulfonamido)-1-naphthyl]-2-naphthyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide
SpectraBase Compound ID 3pEH9upuVup
InChI InChI=1S/C40H48N2O6S2/c1-37(2)27-17-20-40(37,34(44)21-27)24-50(47,48)42-32-16-14-26-10-6-8-12-29(26)36(32)35-28-11-7-5-9-25(28)13-15-31(35)41-49(45,46)23-39-19-18-30(33(43)22-39)38(39,3)4/h5-16,27,30,33-34,41-44H,17-24H2,1-4H3/t27-,30+,33+,34+,39-,40-/m1/s1
InChIKey QMAAWBYVPNDVSF-BQAFGLNHSA-N
Mol Weight 717.0 g/mol
Molecular Formula C40H48N2O6S2
Exact Mass 716.29538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INJLnKTgqrF
Name (M,1R,2S,4R,1'R,2'R,4'R)-N-{1-[2-(2'-Hydroxy-7',7'-dimethylbicyclo[2.2.1]hept-1'-ylmethylsulfonamido)-1-naphthyl]-2-naphthyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H48N2O6S2
InChI InChI=1S/C40H48N2O6S2/c1-37(2)27-17-20-40(37,34(44)21-27)24-50(47,48)42-32-16-14-26-10-6-8-12-29(26)36(32)35-28-11-7-5-9-25(28)13-15-31(35)41-49(45,46)23-39-19-18-30(33(43)22-39)38(39,3)4/h5-16,27,30,33-34,41-44H,17-24H2,1-4H3/t27-,30+,33+,34+,39-,40-/m1/s1
InChIKey QMAAWBYVPNDVSF-BQAFGLNHSA-N
Molecular Weight 716.952 g/mol
SMILES O[C@]1(C[C@@]2(C([C@@]1(CS(Nc1c(-c3c(ccc4c3cccc4)NS(C[C@]34C[C@@]([C@@](C4(C)C)(CC3)[H])(O)[H])(=O)=O)c3ccccc3cc1)(=O)=O)CC2)(C)C)[H])[H]
SPLASH splash10-0019-3902000000-ae4e574989e8cebf0218
Source of Spectrum KD-14-1112-13
Wiley ID 1636008