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(3-ALPHA,12-ALPHA)-DIHYDROXY-5-BETA-CHOLANIC-ACID-3,5,6-TRIMETHYL-PYRAZIN-2-METHYLESTER
SpectraBase Compound ID 1N7WKevWvRA
InChI InChI=1S/C32H50N2O4/c1-18(7-12-30(37)38-17-28-21(4)33-19(2)20(3)34-28)25-10-11-26-24-9-8-22-15-23(35)13-14-31(22,5)27(24)16-29(36)32(25,26)6/h18,22-27,29,35-36H,7-17H2,1-6H3/t18-,22-,23-,24+,25-,26+,27+,29+,31+,32-/m1/s1
InChIKey JWAICBYKTCLOHD-PHBHALMUSA-N
Mol Weight 526.8 g/mol
Molecular Formula C32H50N2O4
Exact Mass 526.377058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mUnXv5XZZg
Name (3-ALPHA,12-ALPHA)-DIHYDROXY-5-BETA-CHOLANIC-ACID-3,5,6-TRIMETHYL-PYRAZIN-2-METHYLESTER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H50N2O4
InChI InChI=1S/C32H50N2O4/c1-18(7-12-30(37)38-17-28-21(4)33-19(2)20(3)34-28)25-10-11-26-24-9-8-22-15-23(35)13-14-31(22,5)27(24)16-29(36)32(25,26)6/h18,22-27,29,35-36H,7-17H2,1-6H3/t18-,22-,23-,24+,25-,26+,27+,29+,31+,32-/m1/s1
InChIKey JWAICBYKTCLOHD-PHBHALMUSA-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 526.760 g/mol
Sample ID 1045
Solvent CDCl3