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2',3'-DIACETYL-ISOVALEROSIDATE
SpectraBase Compound ID DL7Kvmi7gFS
InChI InChI=1S/C25H38O13/c1-6-11(2)22(31)38-23-18-15(7-17(29)25(18,5)32)14(9-33-23)10-34-24-21(36-13(4)28)20(35-12(3)27)19(30)16(8-26)37-24/h9,11,15-21,23-24,26,29-30,32H,6-8,10H2,1-5H3/t11?,15-,16+,17+,18-,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey LDDUHYKAAYRTBL-IXJIVIOYSA-N
Mol Weight 546.6 g/mol
Molecular Formula C25H38O13
Exact Mass 546.231241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JgJ6Xq4RiRS
Name 2'',3''-DIACETYLISOVALEROSIDATE
Compound Number 296
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O13
InChI InChI=1S/C25H38O13/c1-6-11(2)22(31)38-23-18-15(7-17(29)25(18,5)32)14(9-33-23)10-34-24-21(36-13(4)28)20(35-12(3)27)19(30)16(8-26)37-24/h9,11,15-21,23-24,26,29-30,32H,6-8,10H2,1-5H3/t11?,15-,16+,17+,18-,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey LDDUHYKAAYRTBL-IXJIVIOYSA-N
Literature Reference Author B.DINDA,S.DEBNATH,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,55,159(2007)
Literature Reference DOI 10.1248/cpb.55.159
Molecular Weight 546.569 g/mol
Sample ID 38092
Solvent CD3OD