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(1R,2R,3R,4S,6R)-4-Azido-1,2-di-O-benzyl-6-[(benzyloxy)methyl]-3-O-(trifluoromethylsulfonyl)-1,2,3-cyclohexanetriol
SpectraBase Compound ID B1DZVa5qZRp
InChI InChI=1S/C29H30F3N3O6S/c30-29(31,32)42(36,37)41-27-25(34-35-33)16-24(20-38-17-21-10-4-1-5-11-21)26(39-18-22-12-6-2-7-13-22)28(27)40-19-23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t24-,25+,26-,27-,28-/m1/s1
InChIKey CGAQGSPMQDCUTO-CRWBFSFISA-N
Mol Weight 605.63 g/mol
Molecular Formula C29H30F3N3O6S
Exact Mass 605.180741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1l4cIPC9FMQ
Name (1R,2R,3R,4S,6R)-4-Azido-1,2-di-O-benzyl-6-[(benzyloxy)methyl]-3-O-(trifluoromethylsulfonyl)-1,2,3-cyclohexanetriol
Alternate Name(s) (1R,2R,3R,4R,6S)-6-azido-2,3-bis(benzyloxy)-4-[(benzyloxy)methyl]cyclohexyl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30F3N3O6S
InChI InChI=1S/C29H30F3N3O6S/c30-29(31,32)42(36,37)41-27-25(34-35-33)16-24(20-38-17-21-10-4-1-5-11-21)26(39-18-22-12-6-2-7-13-22)28(27)40-19-23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t24-,25+,26-,27-,28-/m1/s1
InChIKey CGAQGSPMQDCUTO-CRWBFSFISA-N
Molecular Weight 605.629 g/mol
SMILES [C@@]1(OS(C(F)(F)F)(=O)=O)([C@@]([C@](OCc2ccccc2)([C@](C[C@@]1(N=[N+]=[N-])[H])(COCc1ccccc1)[H])[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-0006-9000010000-a8a68c993e5f6f64af27
Source of Spectrum J-60-5334-11
Wiley ID 1410530