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PAKISTEROID-B;24-BETA-ETHYL-CHOLESTA-5,9(11),(22E)-TRIEN-3-BETA-BENZOATE
SpectraBase Compound ID DbnSVLvu2Np
InChI InChI=1S/C36H50O2/c1-7-26(24(2)3)14-13-25(4)31-17-18-32-30-16-15-28-23-29(38-34(37)27-11-9-8-10-12-27)19-21-35(28,5)33(30)20-22-36(31,32)6/h8-15,20,24-26,29-32H,7,16-19,21-23H2,1-6H3/b14-13+/t25-,26-,29+,30+,31-,32+,35+,36-/m1/s1
InChIKey MUANJKDHBBCVDY-WVXPGPOKSA-N
Mol Weight 514.8 g/mol
Molecular Formula C36H50O2
Exact Mass 514.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AwC20LXbx4g
Name PAKISTEROID-B;24-BETA-ETHYL-CHOLESTA-5,9(11),(22E)-TRIEN-3-BETA-BENZOATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H50O2
InChI InChI=1S/C36H50O2/c1-7-26(24(2)3)14-13-25(4)31-17-18-32-30-16-15-28-23-29(38-34(37)27-11-9-8-10-12-27)19-21-35(28,5)33(30)20-22-36(31,32)6/h8-15,20,24-26,29-32H,7,16-19,21-23H2,1-6H3/b14-13+/t25-,26-,29+,30+,31-,32+,35+,36-/m1/s1
InChIKey MUANJKDHBBCVDY-WVXPGPOKSA-N
Literature Reference Author M.HUSSAIN,D.N.ZAHRA,S.M.S.HUSSAIN,E.AHMED,I.AHMAD,A.MALIK,Z. AHMED
Literature Reference Citation MAGN.RES.CHEM.,46,274(2008)
Literature Reference DOI 10.1002/mrc.2139
Molecular Weight 514.792 g/mol
Solvent CDCl3
Source File Reference UWIR17458