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(2S)-METHYL-3,7-ANHYDRO-2-PHENYL-2,4-O-(4-BROMOBENZYLIDENE)-5-O-METHYL-8-DEOXY-ALPHA-D-ALTRO-OCTITOLATE
SpectraBase Compound ID FNCXpToH16j
InChI InChI=1S/C23H25BrO7/c1-13-17(25)18(27-2)19-20(29-13)23(22(26)28-3,15-7-5-4-6-8-15)31-21(30-19)14-9-11-16(24)12-10-14/h4-13,17-21,25H,1-3H3/t13-,17-,18-,19+,20+,21+,23+/m1/s1
InChIKey UIUOMJWBAZCOGZ-LWOZTSQMSA-N
Mol Weight 493.35 g/mol
Molecular Formula C23H25BrO7
Exact Mass 492.078366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID SMTenNJYn8
Name (2S)-METHYL-3,7-ANHYDRO-2-PHENYL-2,4-O-(4-BROMOBENZYLIDENE)-5-O-METHYL-8-DEOXY-ALPHA-D-ALTRO-OCTITOLATE
Compound Number 61
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H25BrO7
InChI InChI=1S/C23H25BrO7/c1-13-17(25)18(27-2)19-20(29-13)23(22(26)28-3,15-7-5-4-6-8-15)31-21(30-19)14-9-11-16(24)12-10-14/h4-13,17-21,25H,1-3H3/t13-,17-,18-,19+,20+,21+,23+/m1/s1
InChIKey UIUOMJWBAZCOGZ-LWOZTSQMSA-N
Literature Reference Author P.PASETTO,R.W.FRANCK
Literature Reference Citation J.ORG.CHEM.,68,8042(2003)
Literature Reference DOI 10.1021/jo034607k
Molecular Weight 493.351 g/mol
Solvent CDCl3
Source File Reference UWVN20950