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(2S,3S,4R,20E)-2-[(2'R)-2-HYDROXYL-PALMITOLYL-AMINO]-20-HEXACOSENE-1,3,4-TRIOL

View entire compound with spectra: 1 NMR

(2S,3S,4R,20E)-2-[(2'R)-2-HYDROXYL-PALMITOLYL-AMINO]-20-HEXACOSENE-1,3,4-TRIOL
SpectraBase Compound ID IElvvdNCKxA
InChI InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-39(45)41(47)38(37-44)43-42(48)40(46)36-34-32-30-28-25-16-14-12-10-8-6-4-2/h11,13,38-41,44-47H,3-10,12,14-37H2,1-2H3,(H,43,48)/b13-11+/t38-,39+,40+,41-/m0/s1
InChIKey MNMGQCIYEWFHBC-JTFIHFBASA-N
Mol Weight 682.1 g/mol
Molecular Formula C42H83NO5
Exact Mass 681.627125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D664Q6TbvDe
Name (2S,3S,4R,20E)-2-[(2'R)-2-HYDROXYL-PALMITOLYL-AMINO]-20-HEXACOSENE-1,3,4-TRIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H83NO5
InChI InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-39(45)41(47)38(37-44)43-42(48)40(46)36-34-32-30-28-25-16-14-12-10-8-6-4-2/h11,13,38-41,44-47H,3-10,12,14-37H2,1-2H3,(H,43,48)/b13-11+/t38-,39+,40+,41-/m0/s1
InChIKey MNMGQCIYEWFHBC-JTFIHFBASA-N
Literature Reference Author J.H.ZHU,R.M.YU,L.YANG,W.M.LI
Literature Reference Citation FITOTERAPIA,81,339(2010)
Literature Reference DOI 10.1016/j.fitote.2009.10.006
Molecular Weight 682.125 g/mol
Solvent C5D5N
Source File Reference UWMB1186