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1,3,5-TRIHYDROXY-2-HEXADECANOYL-AMINO-9-(E)-HEPTACOSENE

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1,3,5-TRIHYDROXY-2-HEXADECANOYL-AMINO-9-(E)-HEPTACOSENE
SpectraBase Compound ID AofaipxDi7W
InChI InChI=1S/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(45)37-41(46)40(38-44)43-42(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,39-41,44-46H,3-26,28,30-38H2,1-2H3,(H,43,47)/b29-27+
InChIKey GHLJTECRSRHVNW-ORIPQNMZSA-N
Mol Weight 666.1 g/mol
Molecular Formula C42H83NO4
Exact Mass 665.63221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InJW8YYg57h
Name 1,3,5-TRIHYDROXY-2-HEXADECANOYL-AMINO-9-(E)-HEPTACOSENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H83NO4
InChI InChI=1S/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(45)37-41(46)40(38-44)43-42(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,39-41,44-46H,3-26,28,30-38H2,1-2H3,(H,43,47)/b29-27+
InChIKey GHLJTECRSRHVNW-ORIPQNMZSA-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 666.125 g/mol
Solvent Unknown
Source File Reference UWVN24304