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N,N-DIMETHYL-3-O-METHYLOXIMINO-12-OXO-7-DEOXY-CHOLIC-AMIDE
SpectraBase Compound ID JjjKMoQihwk
InChI InChI=1S/C27H44N2O3/c1-17(7-12-25(31)29(4)5)21-10-11-22-20-9-8-18-15-19(28-32-6)13-14-26(18,2)23(20)16-24(30)27(21,22)3/h17-18,20-23H,7-16H2,1-6H3/b28-19+/t17-,18-,20+,21-,22+,23+,26+,27-/m1/s1
InChIKey WRPWNTAGZPMUOR-SXRRGGRRSA-N
Mol Weight 444.7 g/mol
Molecular Formula C27H44N2O3
Exact Mass 444.335193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AnuXhlJMXUi
Name N,N-DIMETHYL-3-O-METHYLOXIMINO-12-OXO-7-DEOXY-CHOLIC-AMIDE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44N2O3
InChI InChI=1S/C27H44N2O3/c1-17(7-12-25(31)29(4)5)21-10-11-22-20-9-8-18-15-19(28-32-6)13-14-26(18,2)23(20)16-24(30)27(21,22)3/h17-18,20-23H,7-16H2,1-6H3/b28-19+/t17-,18-,20+,21-,22+,23+,26+,27-/m1/s1
InChIKey WRPWNTAGZPMUOR-SXRRGGRRSA-N
Literature Reference Author Y.HUANG,J.CUI,L.JIA,C.GAN,H.SONG,C.ZENG,A.ZHOU
Literature Reference Citation MOLECULES,18,7436(2013)
Literature Reference DOI 10.3390/molecules18077436
Molecular Weight 444.658 g/mol
Solvent CDCl3
Source File Reference UWIR9020