John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KEa7Cr5p9Ar

(accessed ).
5-oxo-5,6-secocholest-3-en-6-oic acid
SpectraBase Compound ID KEa7Cr5p9Ar
InChI InChI=1S/C27H44O3/c1-18(2)9-8-10-19(3)21-12-13-22-20(17-25(29)30)23(14-16-26(21,22)4)27(5)15-7-6-11-24(27)28/h6,11,18-23H,7-10,12-17H2,1-5H3,(H,29,30)/t19-,20?,21-,22+,23?,26-,27-/m1/s1
InChIKey MVTQQYLVQMUYMS-CLRGQYQLSA-N
Mol Weight 416.6 g/mol
Molecular Formula C27H44O3
Exact Mass 416.329046 g/mol
Enantiomer InChIKey MVTQQYLVQMUYMS-CVWLJXCVSA-N
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