Taurohyodeoxycholic Acid
[CAS# 2958-04-5]

Identification

• Name: Taurohyodeoxycholic Acid
• Synonyms: 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Oxopentyl]Amino]Ethanesulfonic Acid; 2-(((3Alpha,5Beta,6Alpha)-3,6-Dihydroxy-24-Cholan-24-Yl)Amino)Ethanesulfonic Acid; Ccris 6480
• Molecular Formula: C₂₆H₄₅NO₆S
• Molecular Weight: 499.70
• CAS Registry Number: 2958-04-5
• SMILES: [C@H]1(CC[C@]2([C@@H](C1)[C@H](C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCC(NCC[S](O)(=O)=O)=O)C)C)O)C)O
• InChI: 1S/C26H45NO6S/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-/m1/s1
• InChIKey: HMXPOCDLAFAFNT-BHYUGXBJSA-N

Properties

• Density: 1.217g/cm³ (Cal.)