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METHYL-2-BETA-(2S)-O-BETA-D-GALACTOPYRANOSYL-7-(E)-TETRATRIACONTENOATE
SpectraBase Compound ID 4fg005Y3Y5A
InChI InChI=1S/C41H78O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35(40(46)47-2)48-41-39(45)38(44)37(43)36(34-42)49-41/h28-29,35-39,41-45H,3-27,30-34H2,1-2H3/b29-28+/t35-,36+,37-,38-,39+,41+/m1/s1
InChIKey DCSNHDPBKWCHTF-DYQWHHPUSA-N
Mol Weight 699.1 g/mol
Molecular Formula C41H78O8
Exact Mass 698.569669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5B7CgtNjLSG
Name METHYL-2-BETA-(2S)-O-BETA-D-GALACTOPYRANOSYL-7-(E)-TETRATRIACONTENOATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H78O8
InChI InChI=1S/C41H78O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35(40(46)47-2)48-41-39(45)38(44)37(43)36(34-42)49-41/h28-29,35-39,41-45H,3-27,30-34H2,1-2H3/b29-28+/t35-,36+,37-,38-,39+,41+/m1/s1
InChIKey DCSNHDPBKWCHTF-DYQWHHPUSA-N
Literature Reference Author S.B.KHAN,AZHAR-UL-HAQ,N.AFZA,A.MALIK,M.T.H.KHAN,M.R.SHAH,M.I .CHOUDHARY
Literature Reference Citation CHEM.PHARM.BULL.,53,86(2005)
Literature Reference DOI 10.1248/cpb.53.86
Molecular Weight 699.066 g/mol
Sample ID 54719
Solvent CD3OD