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(2S,3S,4R)-2-[(2'R)-2'-HYDROXYDOCOSANOYLAMINO]-1,3,4-OCTADECANETRIOL
SpectraBase Compound ID FsxU10Cunqr
InChI InChI=1S/C40H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-38(44)40(46)41-36(35-42)39(45)37(43)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h36-39,42-45H,3-35H2,1-2H3,(H,41,46)/t36-,37-,38-,39+/m1/s1
InChIKey XJDLBNONNWFVMN-BIRDSSBUSA-N
Mol Weight 656.1 g/mol
Molecular Formula C40H81NO5
Exact Mass 655.611475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BjFqldGckkc
Name (2S,3S,4R)-2-[(2'R)-2'-HYDROXYDOCOSANOYLAMINO]-1,3,4-OCTADECANETRIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H81NO5
InChI InChI=1S/C40H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-38(44)40(46)41-36(35-42)39(45)37(43)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h36-39,42-45H,3-35H2,1-2H3,(H,41,46)/t36-,37-,38-,39+/m1/s1
InChIKey XJDLBNONNWFVMN-BIRDSSBUSA-N
Literature Reference Author Y.YAOITA,T.ISHIZUKA,R.KAKUDA,K.MACHIDA,M.KIKUCHI
Literature Reference Citation CHEM.PHARM.BULL.,48,1356(2000)
Literature Reference DOI 10.1248/cpb.48.1356
Molecular Weight 656.087 g/mol
Solvent C5D5N
Source File Reference UWVN4519