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(2S,3S,4R)-2-[(2'R)-2'-HYDROXYPENTACOSANOYLAMINO]-1,3,4-OCTADECANETRIOL
SpectraBase Compound ID 4L3U1248SM3
InChI InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49)/t39-,40-,41-,42+/m1/s1
InChIKey YADUGDLSXPPFIP-MVJOSCLSSA-N
Mol Weight 698.2 g/mol
Molecular Formula C43H87NO5
Exact Mass 697.658425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJg2Vutp5wS
Name (2S,3S,4R)-2-[(2'R)-2'-HYDROXYPENTACOSANOYLAMINO]-1,3,4-OCTADECANETRIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H87NO5
InChI InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49)/t39-,40-,41-,42+/m1/s1
InChIKey YADUGDLSXPPFIP-MVJOSCLSSA-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 698.167 g/mol
Solvent C5D5N
Source File Reference UWVN4521