Catalog Number:
AG00362J
Chemical Name:
Glycocholic acid ethyl ester
CAS Number:
517904-33-5
Molecular Formula:
C28H47NO6
Molecular Weight:
493.6759
MDL Number:
MFCD30342207
IUPAC Name:
ethyl 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
InChI:
InChI=1S/C28H47NO6/c1-5-35-25(34)15-29-24(33)9-6-16(2)19-7-8-20-26-21(14-23(32)28(19,20)4)27(3)11-10-18(30)12-17(27)13-22(26)31/h16-23,26,30-32H,5-15H2,1-4H3,(H,29,33)/t16-,17+,18-,19-,20+,21+,22-,23+,26+,27+,28-/m1/s1
InChI Key:
IUMZSPQFQUFAHS-VVHBOOHCSA-N
SMILES:
CCOC(=O)CNC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC[C@H](C2)O)C
