Molecular Formula: C36H54N4O7
Molecular weight: 654.83656
InChi: InChI=1S/C36H54N4O7/c1-20(25-9-10-26-24-8-7-22-15-23(42)12-13-35(22,2)27(24)16-30(44)36(25,26)3)6-11-31(45)38-14-4-5-21-18-40(34(46)39-33(21)37)32-17-28(43)29(19-41)47-32/h18,20,22-30,32,41-44H,6-17,19H2,1-3H3,(H,38,45)(H2,37,39,46)/t20-,22-,23-,24+,25-,26+,27+,28+,29-,30+,32-,35+,36-/m1/s1
InChi Key: CGRDLRXXOSRXJW-XYQBXTQKSA-N
SMILES: [C@@]12([C@H]([C@H]3[C@H](C[C@@H]2O)[C@@]2([C@H](CC3)C[C@@H](CC2)O)C)CC[C@@H]1[C@@H](CCC(=O)NCC#Cc1cn([C@@H]2O[C@@H]([C@H](C2)O)CO)c(=O)nc1N)C)C
Chemical Name
5-{[(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-2'-deoxycytidine
5-{[(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-2'-deoxycytidine
Authors of compound