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4-Deoxy-7-oxo-brefeldin A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Deoxy-7-oxo-brefeldin A
SpectraBase Compound ID 3Z97r0GYdHC
InChI InChI=1S/C16H22O3/c1-12-6-3-2-4-7-13-10-15(17)11-14(13)8-5-9-16(18)19-12/h4-5,7,9,12-14H,2-3,6,8,10-11H2,1H3/b7-4+,9-5+
InChIKey UDDNPQNPTKOYIF-XCIOYXGDSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JO1fRaPtNxA
Name 4-Deoxy-7-oxo-brefeldin A
CAS Registry Number 95216-31-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-12-6-3-2-4-7-13-10-15(17)11-14(13)8-5-9-16(18)19-12/h4-5,7,9,12-14H,2-3,6,8,10-11H2,1H3/b7-4+,9-5+
InChIKey UDDNPQNPTKOYIF-XCIOYXGDSA-N
Literature Reference Y. Yamamoto, A. Hori, C.R. Hutchinson, J. Am. Chem. Soc. 107, 2471 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3