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1,1'-{Oxy-bis[(S)-2-hydroxy-1-oxoethane-2,1-diyl]-bis[(3aS,6R,7aR)-hexahydro-8,8-dimethyl-3H-3a,6-methano-2,1-benzisothiazole}-2,2,2',2'-tetraoxide

View entire compound with spectra: 1 MS (GC)

1,1'-{Oxy-bis[(S)-2-hydroxy-1-oxoethane-2,1-diyl]-bis[(3aS,6R,7aR)-hexahydro-8,8-dimethyl-3H-3a,6-methano-2,1-benzisothiazole}-2,2,2',2'-tetraoxide
SpectraBase Compound ID LJqzEIleJAy
InChI InChI=1S/C24H36N2O9S2/c1-21(2)13-5-7-23(21)11-36(31,32)25(15(23)9-13)17(27)19(29)35-20(30)18(28)26-16-10-14-6-8-24(16,22(14,3)4)12-37(26,33)34/h13-16,19-20,29-30H,5-12H2,1-4H3/t13-,14?,15?,16?,19-,20-,23-,24?/m0/s1
InChIKey HNXTYTZLFRTAJF-GNJIJMIWSA-N
Mol Weight 560.7 g/mol
Molecular Formula C24H36N2O9S2
Exact Mass 560.186223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XCC1muBzzC
Name 1,1'-{Oxy-bis[(S)-2-hydroxy-1-oxoethane-2,1-diyl]-bis[(3aS,6R,7aR)-hexahydro-8,8-dimethyl-3H-3a,6-methano-2,1-benzisothiazole}-2,2,2',2'-tetraoxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36N2O9S2
InChI InChI=1S/C24H36N2O9S2/c1-21(2)13-5-7-23(21)11-36(31,32)25(15(23)9-13)17(27)19(29)35-20(30)18(28)26-16-10-14-6-8-24(16,22(14,3)4)12-37(26,33)34/h13-16,19-20,29-30H,5-12H2,1-4H3/t13-,14?,15?,16?,19-,20-,23-,24?/m0/s1
InChIKey HNXTYTZLFRTAJF-GNJIJMIWSA-N
Molecular Weight 560.677 g/mol
SMILES O[C@@](O[C@@](C(N1S(CC23C(C(CC3)CC12)(C)C)(=O)=O)=O)(O)[H])(C(N1S(C[C@@]23C1C[C@](CC3)(C2(C)C)[H])(=O)=O)=O)[H]
SPLASH splash10-000i-0910000000-0f66e515676946722f34
Source of Spectrum H-77-620-8
Wiley ID 1404588