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METHYL-2-BENZYLOXYCARBONYLAMINO-2,3-DIDEOXY-4,5-O-ISOPROPYLIDENE-6-O-PARA-TOLUEN-SULFONYL-D-ARABINO-HEXONATE
SpectraBase Compound ID FUSWVBgjrYA
InChI InChI=1S/C25H31NO9S/c1-17-10-12-19(13-11-17)36(29,30)33-16-22-21(34-25(2,3)35-22)14-20(23(27)31-4)26-24(28)32-15-18-8-6-5-7-9-18/h5-13,20-22H,14-16H2,1-4H3,(H,26,28)/t20-,21+,22-/m0/s1
InChIKey LIMCPAZQQHOBHU-BDTNDASRSA-N
Mol Weight 521.58 g/mol
Molecular Formula C25H31NO9S
Exact Mass 521.171953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Abi86eYxOcY
Name METHYL-2-BENZYLOXYCARBONYLAMINO-2,3-DIDEOXY-4,5-O-ISOPROPYLIDENE-6-O-PARA-TOLUEN-SULFONYL-D-ARABINO-HEXONATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31NO9S
InChI InChI=1S/C25H31NO9S/c1-17-10-12-19(13-11-17)36(29,30)33-16-22-21(34-25(2,3)35-22)14-20(23(27)31-4)26-24(28)32-15-18-8-6-5-7-9-18/h5-13,20-22H,14-16H2,1-4H3,(H,26,28)/t20-,21+,22-/m0/s1
InChIKey LIMCPAZQQHOBHU-BDTNDASRSA-N
Literature Reference Author M.J.SIMIRGIOTIS,J.VALLEJOS,C.ARECHE,B.SEPULVEDA
Literature Reference Citation MOLECULES,19,19516(2014)
Literature Reference DOI 10.3390/molecules191219516
Molecular Weight 521.582 g/mol
Solvent CDCl3
Source File Reference UWLU81594