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METHYL-3-OXO-URS-12-EN-28-OATE;METHYL-URSONATE

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METHYL-3-OXO-URS-12-EN-28-OATE;METHYL-URSONATE
SpectraBase Compound ID KUIXzDZh0lY
InChI InChI=1S/C31H48O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-23,25H,10-18H2,1-8H3
InChIKey OGCQKMJALQHROV-UHFFFAOYSA-N
Mol Weight 468.7 g/mol
Molecular Formula C31H48O3
Exact Mass 468.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8GseCFuzV6J
Name Methyl 3-dehydro-oleanolate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H48O3
InChI InChI=1S/C31H48O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-23,25H,10-18H2,1-8H3
InChIKey OGCQKMJALQHROV-UHFFFAOYSA-N
Instrument Name Varian NV-14
Literature Reference S. Seo, Y. Tomita, K. Tori, J. Am. Chem. Soc. 103, 2075 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3