John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Higv0WbqwjO SpectraBase Spectrum ID=9a0z2v21L4z

(accessed ).
1,3,5-TRIHYDROXY-2-HEXADECANOYLAMINO-(6E,9E)-HEPTACOSDIENE
SpectraBase Compound ID Higv0WbqwjO
InChI InChI=1S/C42H81NO4/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/h27,29,33,35,39-41,44-46H,3-26,28,30-32,34,36-38H2,1-2H3,(H,43,47)/b29-27+,35-33+
InChIKey ZMDDPERBGNFDFV-FYBVJDQOSA-N
Mol Weight 664.1 g/mol
Molecular Formula C42H81NO4
Exact Mass 663.616561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9a0z2v21L4z
Name 1,3,5-TRIHYDROXY-2-HEXADECANOYLAMINO-(6E,9E)-HEPTACOSDIENE
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H81NO4
InChI InChI=1S/C42H81NO4/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/h27,29,33,35,39-41,44-46H,3-26,28,30-32,34,36-38H2,1-2H3,(H,43,47)/b29-27+,35-33+
InChIKey ZMDDPERBGNFDFV-FYBVJDQOSA-N
Literature Reference Author N.MUKHTAR,K.IQBAL,A.MALIK
Literature Reference Citation CHEM.PHARM.BULL.,50,1558(2002)
Literature Reference DOI 10.1248/cpb.50.1558
Molecular Weight 664.109 g/mol
Solvent C5D5N
Source File Reference UWMS20284
SpectraBase Batch ID H0UkaJUmcnK