Catalog Number:
AG0094DG
Chemical Name:
Glycochenodeoxycholic acid-d4
CAS Number:
1201918-16-2
Molecular Formula:
C26H39D4NO5
Molecular Weight:
453.6480
MDL Number:
MFCD03425572
IUPAC Name:
2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
InChI:
InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1/i8D2,12D2
InChI Key:
GHCZAUBVMUEKKP-PKIQRPOYSA-N
SMILES:
O=C(CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC([2H])([2H])[C@H](C2([2H])[2H])O)C)NCC(=O)O
