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3-Deoxy-betulic acid, methyl ester

View entire compound with spectra: 1 NMR

3-Deoxy-betulic acid, methyl ester
SpectraBase Compound ID HQ9p57cLQRs
InChI InChI=1S/C31H50O2/c1-20(2)21-12-17-31(26(32)33-8)19-18-29(6)22(25(21)31)10-11-24-28(5)15-9-14-27(3,4)23(28)13-16-30(24,29)7/h21-25H,1,9-19H2,2-8H3
InChIKey OGLHEGUSFUELGF-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H50O2
Exact Mass 454.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6M9Puvi51FC
Name 3-Deoxy-betulic acid, methyl ester
CAS Registry Number 13952-75-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H50O2
InChI InChI=1S/C31H50O2/c1-20(2)21-12-17-31(26(32)33-8)19-18-29(6)22(25(21)31)10-11-24-28(5)15-9-14-27(3,4)23(28)13-16-30(24,29)7/h21-25H,1,9-19H2,2-8H3
InChIKey OGLHEGUSFUELGF-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference E. Wenkert, G.V. Baddeley, I.R. Burfitt, Org. Magn. Resonance 11, 337 (1978).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3