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(20S,22E)-24-Oxo-5,22-cholestadien-3b-yl acetate
SpectraBase Compound ID JXOzYXuuvR6
InChI InChI=1S/C29H44O3/c1-18(2)27(31)12-7-19(3)24-10-11-25-23-9-8-21-17-22(32-20(4)30)13-15-28(21,5)26(23)14-16-29(24,25)6/h7-8,12,18-19,22-26H,9-11,13-17H2,1-6H3/b12-7+
InChIKey NVVAQBOMIXSARI-KPKJPENVSA-N
Mol Weight 440.7 g/mol
Molecular Formula C29H44O3
Exact Mass 440.329045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACOxLvIf5aC
Name (20S,22E)-24-Oxo-5,22-cholestadien-3b-yl acetate
CAS Registry Number 83946-09-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H44O3
InChI InChI=1S/C29H44O3/c1-18(2)27(31)12-7-19(3)24-10-11-25-23-9-8-21-17-22(32-20(4)30)13-15-28(21,5)26(23)14-16-29(24,25)6/h7-8,12,18-19,22-26H,9-11,13-17H2,1-6H3/b12-7+
InChIKey NVVAQBOMIXSARI-KPKJPENVSA-N
Instrument Name Bruker WM-250
Literature Reference W. Sucrow, M. Van Nooy, Liebigs Ann. Chem. 1897 (1982).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3