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[(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-(8-phenylmethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-2-yl]methyl benzoate
SpectraBase Compound ID 81Oz1A95VBs
InChI InChI=1S/C24H22N4O6/c29-19-18(13-33-24(31)16-9-5-2-6-10-16)34-21(20(19)30)23-27-26-22-17(11-25-14-28(22)23)32-12-15-7-3-1-4-8-15/h1-11,14,18-21,29-30H,12-13H2/t18-,19-,20-,21-/m1/s1
InChIKey WVGWHWMHKLYDQR-XRXFAXGQSA-N
Mol Weight 462.46 g/mol
Molecular Formula C24H22N4O6
Exact Mass 462.153934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXNpkJhRiBx
Name [(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-(8-phenylmethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-2-yl]methyl benzoate
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Formula C24H22N4O6
InChI InChI=1S/C24H22N4O6/c29-19-18(13-33-24(31)16-9-5-2-6-10-16)34-21(20(19)30)23-27-26-22-17(11-25-14-28(22)23)32-12-15-7-3-1-4-8-15/h1-11,14,18-21,29-30H,12-13H2/t18-,19-,20-,21-/m1/s1
InChIKey WVGWHWMHKLYDQR-XRXFAXGQSA-N
Molecular Weight 462.462 g/mol
SMILES O[C@@]1([C@@]([C@](O[C@]1(c1[n]2c(nn1)C(OCc1ccccc1)=CN=C2)[H])(COC(=O)c1ccccc1)[H])(O)[H])[H]
SPLASH splash10-0006-9200000000-0657b2a609e813ea3df4
Source of Spectrum Y-26-995-13
Synonyms [(2R,3S,4R,5S)-3,4-dihydroxy-5-(8-phenylmethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxolan-2-yl]methyl benzoate [(2R,3S,4R,5S)-5-(8-benzyloxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl benzoate benzoic acid [(2R,3S,4R,5S)-3,4-dihydroxy-5-(8-phenylmethoxy-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-2-oxolanyl]methyl ester
Wiley ID 1390997