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3-Hydroxy-4-methyl-4-decarboxy-agathic acid

View entire compound with spectra: 2 NMR

3-Hydroxy-4-methyl-4-decarboxy-agathic acid
SpectraBase Compound ID JkY8xacjl70
InChI InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+
InChIKey LNWOKEZJIRLIDO-OUKQBFOZSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1e2doCAYQtu
Name 3-Hydroxy-4-methyl-4-decarboxy-agathic acid
CAS Registry Number 86363-30-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+
InChIKey LNWOKEZJIRLIDO-OUKQBFOZSA-N
Literature Reference A. Patra, A.K. Mitra, S. Biswas, Org. Magn. Resonance 16, 75 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3