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(2S,3S,4R)-2-N-[(2'R)-2'-HYDROXYPENTACOSANOYLAMINO]-NONACOSANE-1,3,4-TRIOL
SpectraBase Compound ID wzLqdrBVDR
InChI InChI=1S/C54H109NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-39-41-43-45-47-51(57)53(59)50(49-56)55-54(60)52(58)48-46-44-42-40-38-36-34-32-30-27-24-22-20-18-16-14-12-10-8-6-4-2/h50-53,56-59H,3-49H2,1-2H3,(H,55,60)/t50-,51+,52+,53-/m0/s1
InChIKey DMHUDFPEKWNWNR-BBLCPNEVSA-N
Mol Weight 852.5 g/mol
Molecular Formula C54H109NO5
Exact Mass 851.830576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K8LYiikG75R
Name (2S,3S,4R)-2-N-[(2'R)-2'-HYDROXYPENTACOSANOYLAMINO]-NONACOSANE-1,3,4-TRIOL
Compound Number 262
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H109NO5
InChI InChI=1S/C54H109NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-39-41-43-45-47-51(57)53(59)50(49-56)55-54(60)52(58)48-46-44-42-40-38-36-34-32-30-27-24-22-20-18-16-14-12-10-8-6-4-2/h50-53,56-59H,3-49H2,1-2H3,(H,55,60)/t50-,51+,52+,53-/m0/s1
InChIKey DMHUDFPEKWNWNR-BBLCPNEVSA-N
Literature Reference Author J.C.D.NASCIMENTO,V.F.D.PAULA,J.M.DAVID,J.P.DAVID
Literature Reference Citation QUIM.NOVA,35,2288(2012)
Literature Reference DOI 10.1590/s0100-40422012001100037
Molecular Weight 852.463 g/mol
Solvent C5D5N
Source File Reference UWIR12368