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1-[5-N-Acetyl-5-amino-5,6-dideoxy-2,3-O-isopropylidene-6-(p-toluenesulfonyl)-.beta,-D-allofuranosyl]uracil
SpectraBase Compound ID 3IihJPSYTO5
InChI InChI=1S/C22H27N3O8S/c1-12-5-7-14(8-6-12)34(29,30)11-15(23-13(2)26)17-18-19(33-22(3,4)32-18)20(31-17)25-10-9-16(27)24-21(25)28/h5-10,15,17-20H,11H2,1-4H3,(H,23,26)(H,24,27,28)/t15-,17-,18-,19-,20-/m1/s1
InChIKey BSRHLBQDJVFJBJ-YHUYVZNPSA-N
Mol Weight 493.53 g/mol
Molecular Formula C22H27N3O8S
Exact Mass 493.151886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jQLDU7iwVU
Name 1-[5-N-Acetyl-5-amino-5,6-dideoxy-2,3-O-isopropylidene-6-(p-toluenesulfonyl)-.beta,-D-allofuranosyl]uracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N3O8S
InChI InChI=1S/C22H27N3O8S/c1-12-5-7-14(8-6-12)34(29,30)11-15(23-13(2)26)17-18-19(33-22(3,4)32-18)20(31-17)25-10-9-16(27)24-21(25)28/h5-10,15,17-20H,11H2,1-4H3,(H,23,26)(H,24,27,28)/t15-,17-,18-,19-,20-/m1/s1
InChIKey BSRHLBQDJVFJBJ-YHUYVZNPSA-N
Molecular Weight 493.531 g/mol
SMILES N([C@@]([C@@]1([C@@]2([C@]([C@](N3C(NC(C=C3)=O)=O)(O1)[H])(OC(O2)(C)C)[H])[H])[H])(CS(c1ccc(cc1)C)(=O)=O)[H])C(=O)C
SPLASH splash10-0002-0900100000-77574c9a8c403c51fe48
Source of Spectrum I-69-2110-13
Synonyms N-[(1S)-1-[(3aR,4R,6R,6aR)-6-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-2-[(4-methylbenzene)sulfonyl]ethyl]acetamide
Wiley ID 1397696