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3-BETA-HYDROXY-OLEA-12-EN-28-OIC-ACID-3,5,6-TRIMETHYL-PYRAZIN-2-METHYLESTER
SpectraBase Compound ID HsjsTOQ62qB
InChI InChI=1S/C38H58N2O3/c1-23-24(2)40-28(25(3)39-23)22-43-32(42)38-19-17-33(4,5)21-27(38)26-11-12-30-35(8)15-14-31(41)34(6,7)29(35)13-16-37(30,10)36(26,9)18-20-38/h11,27,29-31,41H,12-22H2,1-10H3/t27-,29-,30+,31-,35-,36+,37+,38-/m0/s1
InChIKey WFEIDYCRKQWOTM-UFYZPUSDSA-N
Mol Weight 590.9 g/mol
Molecular Formula C38H58N2O3
Exact Mass 590.444744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQESjV7eD33
Name 3-BETA-HYDROXY-OLEA-12-EN-28-OIC-ACID-3,5,6-TRIMETHYL-PYRAZIN-2-METHYLESTER
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H58N2O3
InChI InChI=1S/C38H58N2O3/c1-23-24(2)40-28(25(3)39-23)22-43-32(42)38-19-17-33(4,5)21-27(38)26-11-12-30-35(8)15-14-31(41)34(6,7)29(35)13-16-37(30,10)36(26,9)18-20-38/h11,27,29-31,41H,12-22H2,1-10H3/t27-,29-,30+,31-,35-,36+,37+,38-/m0/s1
InChIKey WFEIDYCRKQWOTM-UFYZPUSDSA-N
Literature Reference Author P.WANG,G.SHE,Y.YANG,Q.LI,H.ZHANG,J.LIU,Y.CAO,X.XU,H.LEI
Literature Reference Citation MOLECULES,17,4972(2012)
Literature Reference DOI 10.3390/molecules17054972
Molecular Weight 590.890 g/mol
Sample ID 1047
Solvent CDCl3