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(3-BETA,18-ALPHA,20-BETA)-3-HYDROXY-11-OXO-OLEAN-12-EN-29-OIC-ACID-3,5,6-TRIMETHYL-PYRAZIN-2-METHYLESTER
SpectraBase Compound ID E8VXaQEYczg
InChI InChI=1S/C38H56N2O4/c1-22-23(2)40-27(24(3)39-22)21-44-32(43)35(7)16-15-34(6)17-18-37(9)25(26(34)20-35)19-28(41)31-36(8)13-12-30(42)33(4,5)29(36)11-14-38(31,37)10/h19,26,29-31,42H,11-18,20-21H2,1-10H3/t26-,29-,30-,31+,34+,35-,36-,37+,38+/m0/s1
InChIKey PMRAHYVDPYSWSC-JWYJLGLLSA-N
Mol Weight 604.9 g/mol
Molecular Formula C38H56N2O4
Exact Mass 604.424008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7p5Orv0tKqk
Name (3-BETA,18-ALPHA,20-BETA)-3-HYDROXY-11-OXO-OLEAN-12-EN-29-OIC-ACID-3,5,6-TRIMETHYL-PYRAZIN-2-METHYLESTER
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H56N2O4
InChI InChI=1S/C38H56N2O4/c1-22-23(2)40-27(24(3)39-22)21-44-32(43)35(7)16-15-34(6)17-18-37(9)25(26(34)20-35)19-28(41)31-36(8)13-12-30(42)33(4,5)29(36)11-14-38(31,37)10/h19,26,29-31,42H,11-18,20-21H2,1-10H3/t26-,29-,30-,31+,34+,35-,36-,37+,38+/m0/s1
InChIKey PMRAHYVDPYSWSC-JWYJLGLLSA-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 604.874 g/mol
Sample ID 1050
Solvent CDCl3