Catalog Number:
AG008T15
Chemical Name:
DEOXYCHOLIC-2,2,4,4-D4 ACID
CAS Number:
112076-61-6
Molecular Formula:
C24H36D4O4
Molecular Weight:
396.5966
MDL Number:
MFCD00209707
IUPAC Name:
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChI:
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i10D2,12D2
InChI Key:
KXGVEGMKQFWNSR-FCSCGBJGSA-N
SMILES:
OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC([2H])([2H])[C@H](C2([2H])[2H])O)C
