SpectraBase Compound ID | EQWPrr26Z3F |
---|---|
InChI | InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15?,16?,17-,18?,19?,20?,21-,22+,24?,25?,26?;/m1./s1 |
InChIKey | JAJWGJBVLPIOOH-DTEHXYMQSA-M |
Mol Weight | 537.7 g/mol |
Molecular Formula | C26H44NNaO7S |
Exact Mass | 537.273618 g/mol |
Parent InChIKey | WBWWGRHZICKQGZ-XWWYUOLUSA-M |
Enantiomer InChIKey | JAJWGJBVLPIOOH-KZRBLZIDSA-M |
Title | Journal or Book | Year |
---|---|---|
Two-dimensional1H1H and13C1H maximum-quantum correlation NMR spectroscopy with application to the assignment of the NMR spectra of the bile salt sodium taurocholate | Magnetic Resonance in Chemistry | 1995 |
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