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(4E,6E,2S,3R)-2-N-DOCOSANOYL-4,6-TETRADECASPHINGADIENINE

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(4E,6E,2S,3R)-2-N-DOCOSANOYL-4,6-TETRADECASPHINGADIENINE
SpectraBase Compound ID C5JD9XsNgDF
InChI InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-12-10-8-6-4-2/h25,27,29,31,34-35,38-39H,3-24,26,28,30,32-33H2,1-2H3,(H,37,40)/b27-25+,31-29+/t34-,35-/m0/s1
InChIKey KKPFDXYNZHDJIR-XHXQRYQASA-N
Mol Weight 564.0 g/mol
Molecular Formula C36H69NO3
Exact Mass 563.527745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9oZOWEWwzzZ
Name (4E,6E,2S,3R)-2-N-DOCOSANOYL-4,6-TETRADECASPHINGADIENINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H69NO3
InChI InChI=1S/C36H69NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-12-10-8-6-4-2/h25,27,29,31,34-35,38-39H,3-24,26,28,30,32-33H2,1-2H3,(H,37,40)/b27-25+,31-29+/t34-,35-/m0/s1
InChIKey KKPFDXYNZHDJIR-XHXQRYQASA-N
Literature Reference Author H.C.KWON,K.C.LEE,O.R.CHO,I.Y.JUNG,S.Y.CHO,S.Y.KIM,K.R.LEE
Literature Reference Citation J.NAT.PROD.,66,466(2003)
Literature Reference DOI 10.1021/np0204491
Molecular Weight 563.949 g/mol
Solvent CDCl3
Source File Reference UWSI7551