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MELICIMIDE-A;(2S,2'R,3S,4R)-N-(2'-HYDROXYOCTADECANOYL)-2-AMINO-DOCOSANE-1,3,4-TRIOL
SpectraBase Compound ID 38zKfVoGsVS
InChI InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-41(47)43(49)40(39-46)45-44(50)42(48)38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41+,42+,43-/m0/s1
InChIKey NDCNELRYVBMFBT-IDAYOUIPSA-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 9T65U9qqgtu
Name MELICIMIDE-A;(2S,2'R,3S,4R)-N-(2'-HYDROXYOCTADECANOYL)-2-AMINO-DOCOSANE-1,3,4-TRIOL
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H89NO5
InChI InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-41(47)43(49)40(39-46)45-44(50)42(48)38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41+,42+,43-/m0/s1
InChIKey NDCNELRYVBMFBT-IDAYOUIPSA-N
Literature Reference Author H.HUSSAIN,A.T.NYONGHA,E.DONGO,A.BADSHAH,I.R.GREEN,W.ZHANG
Literature Reference Citation REC.NAT.PROD.,7,141(2013)
Molecular Weight 712.194 g/mol
Solvent C5D5N
Source File Reference UWIR16056