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(2S,3R,4E,8E)-N-HEXADECANOYL-2-AMINO-9-METHYL-4,8-OCTADECADIENE-1,3-DIOL
SpectraBase Compound ID BTmfRrlcDpN
InChI InChI=1S/C35H67NO3/c1-4-6-8-10-12-13-14-15-16-17-19-21-26-30-35(39)36-33(31-37)34(38)29-25-22-24-28-32(3)27-23-20-18-11-9-7-5-2/h25,28-29,33-34,37-38H,4-24,26-27,30-31H2,1-3H3,(H,36,39)/b29-25+,32-28+/t33-,34+/m0/s1
InChIKey KPPGVIOJIIETHZ-JUPSTNAXSA-N
Mol Weight 549.9 g/mol
Molecular Formula C35H67NO3
Exact Mass 549.512095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZswD6DFshH
Name (2S,3R,4E,8E)-N-HEXADECANOYL-2-AMINO-9-METHYL-4,8-OCTADECADIENE-1,3-DIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H67NO3
InChI InChI=1S/C35H67NO3/c1-4-6-8-10-12-13-14-15-16-17-19-21-26-30-35(39)36-33(31-37)34(38)29-25-22-24-28-32(3)27-23-20-18-11-9-7-5-2/h25,28-29,33-34,37-38H,4-24,26-27,30-31H2,1-3H3,(H,36,39)/b29-25+,32-28+/t33-,34+/m0/s1
InChIKey KPPGVIOJIIETHZ-JUPSTNAXSA-N
Literature Reference Author Y.YAOITA,R.KOHATA,R.KAKUDA,K.MACHIDA,M.KIKUCHI
Literature Reference Citation CHEM.PHARM.BULL.,50,681(2002)
Literature Reference DOI 10.1248/cpb.50.681
Molecular Weight 549.922 g/mol
Solvent CDCl3
Source File Reference UWVN8183