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7-Oxo-brefeldin A (4-thiocarbonyl-imidazolate)

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7-Oxo-brefeldin A (4-thiocarbonyl-imidazolate)
SpectraBase Compound ID DABlLjmQT0O
InChI InChI=1S/C20H24N2O4S/c1-13-5-3-2-4-6-14-9-15(23)10-16(14)18(7-8-19(24)25-13)26-20(27)17-11-21-12-22-17/h4,6-8,11-14,16,18H,2-3,5,9-10H2,1H3,(H,21,22)/b6-4+,8-7+
InChIKey BUULUNFADAICAG-GFGVWQOPSA-N
Mol Weight 388.48 g/mol
Molecular Formula C20H24N2O4S
Exact Mass 388.145678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1tzYFfofp13
Name 7-Oxo-brefeldin A (4-thiocarbonyl-imidazolate)
CAS Registry Number 95192-02-2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C20H24N2O4S
InChI InChI=1S/C20H24N2O4S/c1-13-5-3-2-4-6-14-9-15(23)10-16(14)18(7-8-19(24)25-13)26-20(27)17-11-21-12-22-17/h4,6-8,11-14,16,18H,2-3,5,9-10H2,1H3,(H,21,22)/b6-4+,8-7+
InChIKey BUULUNFADAICAG-GFGVWQOPSA-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