| Catalog Number |
ACM252030903-1 |
| CAS |
252030-90-3 |
| Synonyms |
D4-TC; 2-[[(3α,5β,7α,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl -2,2,4,4-d4]amino]ethanesulfonic acid |
| IUPAC Name |
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid |
| Molecular Weight |
519.73 |
| Molecular Formula |
C26H41D4NO7S |
| InChI |
InChI=1S/C26H45NO7S/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)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1/i8D2,12D2 |
| InChI Key |
WBWWGRHZICKQGZ-VEQOTJGJSA-N |
| Melting Point |
177-180 °C |
| Appearance |
White to off-white solid |
| Isomeric SMILES |
[2H]C1(C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)O)C)O)C)[2H] |
| Stability |
Stable under recommended storage conditions. |
| Storage Conditions |
Long term storage -20 °C freezer. |
