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1-O-BETA-D-GLUCOPYRANOSYL-3,5-DIHYDROXY-2-HEXADECANOYL-AMINO-9-(E)-HEPTACOSENE
SpectraBase Compound ID 6OU16JRFICA
InChI InChI=1S/C48H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-40(51)37-42(52)41(39-57-48-47(56)46(55)45(54)43(38-50)58-48)49-44(53)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,40-43,45-48,50-52,54-56H,3-26,28,30-39H2,1-2H3,(H,49,53)/b29-27+/t40?,41?,42?,43-,45-,46+,47-,48-/m1/s1
InChIKey DUTIXEQGYGUIKI-IVWFJVFTSA-N
Mol Weight 828.3 g/mol
Molecular Formula C48H93NO9
Exact Mass 827.685034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1obBXzcj74X
Name 1-O-BETA-D-GLUCOPYRANOSYL-3,5-DIHYDROXY-2-HEXADECANOYL-AMINO-9-(E)-HEPTACOSENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H93NO9
InChI InChI=1S/C48H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-40(51)37-42(52)41(39-57-48-47(56)46(55)45(54)43(38-50)58-48)49-44(53)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,40-43,45-48,50-52,54-56H,3-26,28,30-39H2,1-2H3,(H,49,53)/b29-27+/t40?,41?,42?,43-,45-,46+,47-,48-/m1/s1
InChIKey DUTIXEQGYGUIKI-IVWFJVFTSA-N
Literature Reference Author N.MUKHTAR,K.IQBAL,I.ANIS,A.MALIK
Literature Reference Citation PHYTOCHEM.,61,1005(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00385-0
Molecular Weight 828.268 g/mol
Solvent Unknown
Source File Reference UWVN24305