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HLBZSQOUBVLLLL-DSQNTSBQSA-N
SpectraBase Compound ID KurQh0VUiHQ
InChI InChI=1S/C33H52O4/c1-20-12-17-33(28(35)36-9)19-18-31(7)23(27(33)21(20)2)10-11-25-30(6)15-14-26(37-22(3)34)29(4,5)24(30)13-16-32(25,31)8/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24?,25?,26+,27?,30+,31-,32-,33+/m1/s1
InChIKey HLBZSQOUBVLLLL-DSQNTSBQSA-N
Mol Weight 512.8 g/mol
Molecular Formula C33H52O4
Exact Mass 512.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LKgLUClrVxa
Name ACETYLURSOLIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H52O4
InChI InChI=1S/C33H52O4/c1-20-12-17-33(28(35)36-9)19-18-31(7)23(27(33)21(20)2)10-11-25-30(6)15-14-26(37-22(3)34)29(4,5)24(30)13-16-32(25,31)8/h10,20-21,24-27H,11-19H2,1-9H3/t20-,21+,24?,25?,26+,27?,30+,31-,32-,33+/m1/s1
InChIKey HLBZSQOUBVLLLL-DSQNTSBQSA-N
Literature Reference Author G.G.SANTOS,J.C.N.ALVES,J.M.L.RODILLA,A.P.DUARTE,A.M.LITHGOW, J.G.URONES
Literature Reference Citation PHYTOCHEM.,44,1309(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00680-2
Molecular Weight 512.773 g/mol
Solvent CDCl3
Source File Reference UWUC63