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Ursolic acid
SpectraBase Compound ID A64CIOZv666
InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23+,24+,27+,28-,29-,30+/m1/s1
InChIKey WCGUUGGRBIKTOS-APYMDAETSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IIk3ZoWmVD9
Name URSOLIC-ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22?,23+,24+,27+,28-,29-,30+/m1/s1
InChIKey WCGUUGGRBIKTOS-APYMDAETSA-N
Literature Reference Author J.Z.DENG,S.R.STARCK,S.M.HECHT
Literature Reference Citation J.NAT.PROD.,62,1624(1999)
Literature Reference DOI 10.1021/np990240w
Molecular Weight 456.709 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWRU500