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(3-ALPHA,7-ALPHA,12-ALPHA)-TRIHYDROXY-5-BETA-CHOLANIC-ACID-3,5,6-TRIMETHYL-PYRAZIN-2-METHYLESTER
SpectraBase Compound ID JmPA90GmaHn
InChI InChI=1S/C32H50N2O5/c1-17(7-10-29(38)39-16-26-20(4)33-18(2)19(3)34-26)23-8-9-24-30-25(15-28(37)32(23,24)6)31(5)12-11-22(35)13-21(31)14-27(30)36/h17,21-25,27-28,30,35-37H,7-16H2,1-6H3/t17-,21+,22-,23-,24+,25+,27-,28+,30+,31+,32-/m1/s1
InChIKey ICGZMGODDXJRMR-KLQGMSDESA-N
Mol Weight 542.8 g/mol
Molecular Formula C32H50N2O5
Exact Mass 542.371973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQ6JWijlkma
Name (3-ALPHA,7-ALPHA,12-ALPHA)-TRIHYDROXY-5-BETA-CHOLANIC-ACID-3,5,6-TRIMETHYL-PYRAZIN-2-METHYLESTER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H50N2O5
InChI InChI=1S/C32H50N2O5/c1-17(7-10-29(38)39-16-26-20(4)33-18(2)19(3)34-26)23-8-9-24-30-25(15-28(37)32(23,24)6)31(5)12-11-22(35)13-21(31)14-27(30)36/h17,21-25,27-28,30,35-37H,7-16H2,1-6H3/t17-,21+,22-,23-,24+,25+,27-,28+,30+,31+,32-/m1/s1
InChIKey ICGZMGODDXJRMR-KLQGMSDESA-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 542.759 g/mol
Sample ID 1046
Solvent CDCl3