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1'-(2',3',5'-Tri-O-benzoyl-.beta.-D-ribofuranosyl)-2-hydroxy-1,3,4-triazole-5-thione
SpectraBase Compound ID AZF1B9ick8x
InChI InChI=1S/C28H23N3O8S/c32-24(17-10-4-1-5-11-17)36-16-20-21(38-25(33)18-12-6-2-7-13-18)22(39-26(34)19-14-8-3-9-15-19)23(37-20)31-27(35)29-30-28(31)40/h1-15,20-23H,16H2,(H,29,35)(H,30,40)/t20-,21-,22-,23-/m1/s1
InChIKey YSVRMNLCYMBOHJ-SSGKUCQKSA-N
Mol Weight 561.57 g/mol
Molecular Formula C28H23N3O8S
Exact Mass 561.120586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iXdern1Mjo
Name 1'-(2',3',5'-Tri-O-benzoyl-.beta.-D-ribofuranosyl)-2-hydroxy-1,3,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23N3O8S
InChI InChI=1S/C28H23N3O8S/c32-24(17-10-4-1-5-11-17)36-16-20-21(38-25(33)18-12-6-2-7-13-18)22(39-26(34)19-14-8-3-9-15-19)23(37-20)31-27(35)29-30-28(31)40/h1-15,20-23H,16H2,(H,29,35)(H,30,40)/t20-,21-,22-,23-/m1/s1
InChIKey YSVRMNLCYMBOHJ-SSGKUCQKSA-N
Molecular Weight 561.565 g/mol
SMILES Oc1[n](c(nn1)S)[C@]1([C@@]([C@@]([C@](O1)(COC(c1ccccc1)=O)[H])(OC(=O)c1ccccc1)[H])(OC(c1ccccc1)=O)[H])[H]
SPLASH splash10-0a4i-0900000000-318a8ac36b4a07b2a3ae
Source of Spectrum CJC-15-381-5a
Synonyms (2R,3R,4R,5R)-2-((benzoyloxy)methyl)-5-(3-hydroxy-5-mercapto-4H-1,2,4-triazol-4-yl)tetrahydrofuran-3,4-diyl dibenzoate
Wiley ID 1773329