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3[BETA]-ACETOXYTARAXASTER-20-EN-30-OIC-METHYLESTER
SpectraBase Compound ID 3fBrVXdY4Nc
InChI InChI=1S/C33H52O4/c1-20-22(28(35)36-9)12-15-30(5)18-19-32(7)23(27(20)30)10-11-25-31(6)16-14-26(37-21(2)34)29(3,4)24(31)13-17-33(25,32)8/h12,20,23-27H,10-11,13-19H2,1-9H3/t20-,23-,24+,25-,26+,27-,30-,31+,32-,33-/m1/s1
InChIKey YCDWJQNVAYPWMC-JDNDZEPQSA-N
Mol Weight 512.8 g/mol
Molecular Formula C33H52O4
Exact Mass 512.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Arc4bTrq1g1
Name 3[BETA]-ACETOXYTARAXASTER-20-EN-30-OIC-METHYLESTER
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H52O4
InChI InChI=1S/C33H52O4/c1-20-22(28(35)36-9)12-15-30(5)18-19-32(7)23(27(20)30)10-11-25-31(6)16-14-26(37-21(2)34)29(3,4)24(31)13-17-33(25,32)8/h12,20,23-27H,10-11,13-19H2,1-9H3/t20-,23-,24+,25-,26+,27-,30-,31+,32-,33-/m1/s1
InChIKey YCDWJQNVAYPWMC-JDNDZEPQSA-N
Literature Reference Author J.TRIANA,M.LOPEZ,F.J.PEREZ,J.G.PLATAS,F.ESTEVEZ,J.F.LEON,J.C .HERNANDEZ,I.BROUARD
Literature Reference Citation FITOTERAPIA,80,437(2009)
Literature Reference DOI 10.1016/j.fitote.2009.06.001
Molecular Weight 512.773 g/mol
Solvent CDCl3
Source File Reference UWMB1006