(75)Seleno-Homocholic Acid-Taurine
[CAS# 75018-70-1]

Identification

• Name: (75)Seleno-Homocholic Acid-Taurine
• Synonyms: 23-Seleno-25-Homotaurocholic Acid; Ethanesulfonic Acid, 2-(((((3Alpha,5Beta,7Alpha,12Alpha,20S)-3,7,12-Trihydroxy-20-Methylpregnan-21-Yl)Seleno-75Se)Acetyl)Amino)-; Se(75)Hcat
• Molecular Formula: C₂₆H₄₅NO₇SSe
• Molecular Weight: 594.66
• CAS Registry Number: 75018-70-1
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](C[C@H]1O)C[C@@H](CC2)O)C)C[C@@H]3O)CC[C@@H]4[C@@H](C[75Se]CC(=O)NCC[S](=O)(=O)O)C)C
• InChI: 1S/C26H45NO7SSe/c1-15(13-36-14-23(31)27-8-9-35(32,33)34)18-4-5-19-24-20(12-22(30)26(18,19)3)25(2)7-6-17(28)10-16(25)11-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1/i36-4
• InChIKey: JCMLWGQJPSGGEI-DJQDYNOGSA-N