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3',4',6'-tri-o-Acetyl-2'-deoxy-2'-fluoro-alpha-D-mannopyranosyl-(1'->4)-1,6-anhydro-2,3-o-isopropylidene-beta-D-mannopyranose

View entire compound with spectra: 2 NMR

3',4',6'-tri-o-Acetyl-2'-deoxy-2'-fluoro-alpha-D-mannopyranosyl-(1'->4)-1,6-anhydro-2,3-o-isopropylidene-beta-D-mannopyranose
SpectraBase Compound ID Avt0JAOXbRU
InChI InChI=1S/C21H29FO12/c1-8(23)26-6-11-14(28-9(2)24)16(29-10(3)25)13(22)19(30-11)32-15-12-7-27-20(31-12)18-17(15)33-21(4,5)34-18/h11-20H,6-7H2,1-5H3/t11-,12-,13+,14-,15+,16-,17+,18+,19-,20+/m1/s1
InChIKey CKSCQNNJDMOYMY-DBTHXFJHSA-N
Mol Weight 492.45 g/mol
Molecular Formula C21H29FO12
Exact Mass 492.164305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJG5UCSCPf3
Name 3',4',6'-tri-o-Acetyl-2'-deoxy-2'-fluoro-alpha-D-mannopyranosyl-(1'->4)-1,6-anhydro-2,3-o-isopropylidene-beta-D-mannopyranose
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.164304525 u
Formula C21H29FO12
InChI InChI=1S/C21H29FO12/c1-8(23)26-6-11-14(28-9(2)24)16(29-10(3)25)13(22)19(30-11)32-15-12-7-27-20(31-12)18-17(15)33-21(4,5)34-18/h11-20H,6-7H2,1-5H3/t11-,12-,13+,14-,15+,16-,17+,18+,19-,20+/m1/s1
InChIKey CKSCQNNJDMOYMY-DBTHXFJHSA-N
Molecular Weight 492.449 g/mol
SMILES [C@]1(F)([C@@](O[C@]2([C@]3(CO[C@]([C@@]4([C@]2(OC(O4)(C)C)[H])[H])(O3)[H])[H])[H])(O[C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H])[H]