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3-BETA,16-BETA-DIACETOXY-BETULINIC-ACID-METHYLESTER
SpectraBase Compound ID 6fc9j3mmVyt
InChI InChI=1S/C35H54O6/c1-20(2)23-13-18-35(30(38)39-10)28(41-22(4)37)19-34(9)24(29(23)35)11-12-26-32(7)16-15-27(40-21(3)36)31(5,6)25(32)14-17-33(26,34)8/h23-29H,1,11-19H2,2-10H3/t23-,24+,25-,26+,27-,28-,29+,32-,33+,34+,35-/m0/s1
InChIKey DNVGTOKVOKVNDS-QVSQDVDYSA-N
Mol Weight 570.8 g/mol
Molecular Formula C35H54O6
Exact Mass 570.392039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfEOkKp35Sa
Name 3-BETA,16-BETA-DIACETOXY-BETULINIC-ACID-METHYLESTER
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H54O6
InChI InChI=1S/C35H54O6/c1-20(2)23-13-18-35(30(38)39-10)28(41-22(4)37)19-34(9)24(29(23)35)11-12-26-32(7)16-15-27(40-21(3)36)31(5,6)25(32)14-17-33(26,34)8/h23-29H,1,11-19H2,2-10H3/t23-,24+,25-,26+,27-,28-,29+,32-,33+,34+,35-/m0/s1
InChIKey DNVGTOKVOKVNDS-QVSQDVDYSA-N
Literature Reference Author L.M.A.MBAZE,H.M.P.POUMALE,J.D.WANSI,J.A.LADO,S.N.KHAN,M.C.IQ BAL,B.T.NGADJUI,H.LA
Literature Reference Citation PHYTOCHEM.,68,591(2007)
Literature Reference DOI 10.1016/j.phytochem.2006.12.015
Molecular Weight 570.810 g/mol
Sample ID 62459
Solvent CDCl3