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N-nitrosotaurocholic acid sodium salt
SpectraBase Compound ID 16xyKAgDOUq
InChI InChI=1S/C26H44N2O8S.Na/c1-15(4-7-23(32)28(27-33)10-11-37(34,35)36)18-5-6-19-24-20(14-22(31)26(18,19)3)25(2)9-8-17(29)12-16(25)13-21(24)30;/h15-22,24,29-31H,4-14H2,1-3H3,(H,34,35,36);/q;+1/p-1/t15?,16-,17+,18?,19?,20?,21+,22-,24?,25-,26+;/m0./s1
InChIKey ZRDPHNFMYUMWJY-JLJHFBLGSA-M
Mol Weight 566.7 g/mol
Molecular Formula C26H43N2NaO8S
Exact Mass 566.263782 g/mol
Parent InChIKey RGGOJLKORFRSHP-NXLBASFBSA-M
Enantiomer InChIKey ZRDPHNFMYUMWJY-FAJIBRGISA-M
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Source of Spectrum J-46-2095-0
  • CCRIS 6158

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