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METHYL-3,7,12-TRIACETYLCHOLATE
SpectraBase Compound ID ICQhA8oDEVN
InChI InChI=1S/C31H48O8/c1-17(8-11-28(35)36-7)23-9-10-24-29-25(16-27(31(23,24)6)39-20(4)34)30(5)13-12-22(37-18(2)32)14-21(30)15-26(29)38-19(3)33/h17,21-27,29H,8-16H2,1-7H3/t17?,21-,22+,23+,24-,25-,26+,27-,29-,30-,31+/m0/s1
InChIKey VTBGQCBIQJMJJZ-HAQZNTNCSA-N
Mol Weight 548.7 g/mol
Molecular Formula C31H48O8
Exact Mass 548.334918 g/mol
Enantiomer InChIKey VTBGQCBIQJMJJZ-AVGRMTGPSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH2Cl2
Title Journal or Book Year
Nuclear magnetic resonance spectroscopy. Carbon-13 spectra of cholic acids and hydrocarbons included in sodium desoxycholate solutions Journal of the American Chemical Society 1973

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