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URTICA-CERAMIDES;MAJOR

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URTICA-CERAMIDES;MAJOR
SpectraBase Compound ID 21dxnaWnVjn
InChI InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,38-41,44-47H,3-26,28,30-37H2,1-2H3,(H,43,48)/b29-27+/t38-,39-,40+,41+/m0/s1
InChIKey BIVGPKIBTGZJJH-CPTIHOIHSA-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 DjVXAhJmGqb
Name URTICA-CERAMIDES;MAJOR
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H83NO5
InChI InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,38-41,44-47H,3-26,28,30-37H2,1-2H3,(H,43,48)/b29-27+/t38-,39-,40+,41+/m0/s1
InChIKey BIVGPKIBTGZJJH-CPTIHOIHSA-N
Literature Reference Author J.S.KIM,S.H.SHIM,S.CHAE,S.J.HAN,S.S.KANG,K.H.SON,H.W.CHANG,H .P.KIM,K.BAE
Literature Reference Citation CHEM.PHARM.BULL.,53,696(2005)
Literature Reference DOI 10.1248/cpb.53.696
Molecular Weight 682.125 g/mol
Sample ID 53943
Solvent C5D5N