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(1S,2S,4R,5S,6R)-5-azido-6-benzoxy-2-(benzoxymethyl)cyclohexane-1,2,4-triol
SpectraBase Compound ID vVmavugYhc
InChI InChI=1S/C21H25N3O5/c22-24-23-18-17(25)11-21(27,14-28-12-15-7-3-1-4-8-15)20(26)19(18)29-13-16-9-5-2-6-10-16/h1-10,17-20,25-27H,11-14H2/t17-,18+,19-,20+,21+/m1/s1
InChIKey CATSJIOTDZHVLZ-TXVWBRJLSA-N
Mol Weight 399.45 g/mol
Molecular Formula C21H25N3O5
Exact Mass 399.179421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iJyh3TTFT2
Name (1S,2S,4R,5S,6R)-5-azido-6-benzoxy-2-(benzoxymethyl)cyclohexane-1,2,4-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O5
InChI InChI=1S/C21H25N3O5/c22-24-23-18-17(25)11-21(27,14-28-12-15-7-3-1-4-8-15)20(26)19(18)29-13-16-9-5-2-6-10-16/h1-10,17-20,25-27H,11-14H2/t17-,18+,19-,20+,21+/m1/s1
InChIKey CATSJIOTDZHVLZ-TXVWBRJLSA-N
Molecular Weight 399.447 g/mol
SMILES O[C@@]1(C[C@]([C@]([C@@]([C@]1(N=[N+]=[N-])[H])(OCc1ccccc1)[H])(O)[H])(O)COCc1ccccc1)[H]
SPLASH splash10-0006-9000000000-9f714ffb8399ff61abe5
Source of Spectrum J-61-8475-16
Synonyms (1S,2S,4R,5S,6R)-5-azido-6-benzyloxy-2-(benzyloxymethyl)cyclohexane-1,2,4-triol (1S,2S,4R,5S,6R)-5-azido-6-phenylmethoxy-2-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
Wiley ID 1368957