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Methyl 14-oxo-trachylobanate

View entire compound with spectra: 1 NMR

Methyl 14-oxo-trachylobanate
SpectraBase Compound ID KQKghV4q8Kh
InChI InChI=1S/C21H30O3/c1-18-7-5-8-19(2,17(23)24-4)13(18)6-9-21-11-20(3)12(10-14(18)21)15(20)16(21)22/h12-15H,5-11H2,1-4H3/t12-,13-,14-,15?,18-,19?,20-,21+/m0/s1
InChIKey CNJLICHZIVBXSX-SVYHGGBQSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeOFC12pznV
Name Methyl 14-oxo-trachylobanate
CAS Registry Number 68276-52-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-18-7-5-8-19(2,17(23)24-4)13(18)6-9-21-11-20(3)12(10-14(18)21)15(20)16(21)22/h12-15H,5-11H2,1-4H3/t12-,13-,14-,15?,18-,19?,20-,21+/m0/s1
InChIKey CNJLICHZIVBXSX-SVYHGGBQSA-N
Instrument Name Varian XL-100
Literature Reference R.M. Cory, J.B. Stothers, Org. Magn. Resonance 11, 252 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3