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1H-Indazole, 5-methyl-6-nitro-1-(2,3,5-tri-O-benzoyl-.beta.-D-ribofuranosyl)-
SpectraBase Compound ID GURTosdXAda
InChI InChI=1S/C34H27N3O9/c1-21-17-25-19-35-36(27(25)18-26(21)37(41)42)31-30(46-34(40)24-15-9-4-10-16-24)29(45-33(39)23-13-7-3-8-14-23)28(44-31)20-43-32(38)22-11-5-2-6-12-22/h2-19,28-31H,20H2,1H3/t28-,29-,30-,31-/m1/s1
InChIKey PPIIEGKHGNLXGT-OMRVPHBLSA-N
Mol Weight 621.6 g/mol
Molecular Formula C34H27N3O9
Exact Mass 621.174729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACfOqPGW9zq
Name 1H-Indazole, 5-methyl-6-nitro-1-(2,3,5-tri-O-benzoyl-.beta.-D-ribofuranosyl)-
CAS Registry Number 78432-71-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H27N3O9
InChI InChI=1S/C34H27N3O9/c1-21-17-25-19-35-36(27(25)18-26(21)37(41)42)31-30(46-34(40)24-15-9-4-10-16-24)29(45-33(39)23-13-7-3-8-14-23)28(44-31)20-43-32(38)22-11-5-2-6-12-22/h2-19,28-31H,20H2,1H3/t28-,29-,30-,31-/m1/s1
InChIKey PPIIEGKHGNLXGT-OMRVPHBLSA-N
Molecular Weight 621.602 g/mol
SMILES [C@@]1([n]2ncc3c2cc(N(=O)=O)c(C)c3)([C@@]([C@](OC(=O)c2ccccc2)([C@](O1)(COC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-0002-0000900000-4db9fe44e881516fa320
Source of Spectrum K-114-1633-0
Synonyms (2R,3R,4R,5R)-4-(benzoyloxy)-2-[(benzoyloxy)methyl]-5-(5-methyl-6-nitro-1H-indazol-1-yl)oxolan-3-yl benzoate 5-Methyl-6-nitro-1-(2,3,5-tri-O-benzoyl-.beta.-D-ribofuranosyl)-1H-indazole
Wiley ID 1411603