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Urs-12-en-28-oic acid, 3-hydroxy-, methyl ester, (3.beta.)-

View entire compound with spectra: 5 NMR, and 2 MS (GC)

Urs-12-en-28-oic acid, 3-hydroxy-, methyl ester, (3.beta.)-
SpectraBase Compound ID 6nRctqfPYdM
InChI InChI=1S/C31H50O3/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/h9,19-20,22-25,32H,10-18H2,1-8H3
InChIKey YCBSMEKEDOHEQI-UHFFFAOYSA-N
Mol Weight 470.7 g/mol
Molecular Formula C31H50O3
Exact Mass 470.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9hMR8Iz0Dq
Name Methyl ursolate
CAS Registry Number 32208-45-0
Comments ASSIGNEMENT BY DEUTERATION EXPERIMENTS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H50O3
InChI InChI=1S/C31H50O3/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/h9,19-20,22-25,32H,10-18H2,1-8H3
InChIKey YCBSMEKEDOHEQI-UHFFFAOYSA-N
Instrument Name Jeol GX-400
Literature Reference S. Seo, Y. Yoshimura, A. Uomori, J. Am. Chem. Soc. 110, 1740 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3