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(2S,3S,4R)-2-[(2'R)-2'-HYDROXYHEXACOSANOYLAMINO]-1,3,4-OCTADECANETRIOL
SpectraBase Compound ID Im45Kdh9vXs
InChI InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41-,42-,43+/m1/s1
InChIKey XNLFLZXNXQVPII-KFHGCFCWSA-N
Mol Weight 712.2 g/mol
Molecular Formula C44H89NO5
Exact Mass 711.674075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KP042GhUn7U
Name (2S,3S,4R)-2-[(2'R)-2'-HYDROXYHEXACOSANOYLAMINO]-1,3,4-OCTADECANETRIOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H89NO5
InChI InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41-,42-,43+/m1/s1
InChIKey XNLFLZXNXQVPII-KFHGCFCWSA-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 712.194 g/mol
Solvent C5D5N
Source File Reference UWVN4522