Molecular Formula: C36H54N4O8
Molecular weight: 670.83596
InChi: InChI=1S/C36H54N4O8/c1-19(6-9-30(46)38-12-4-5-20-17-40(34(47)39-33(20)37)31-16-26(43)28(18-41)48-31)23-7-8-24-32-25(15-29(45)36(23,24)3)35(2)11-10-22(42)13-21(35)14-27(32)44/h17,19,21-29,31-32,41-45H,6-16,18H2,1-3H3,(H,38,46)(H2,37,39,47)/t19-,21+,22-,23-,24+,25+,26+,27-,28-,29+,31-,32+,35+,36-/m1/s1
InChi Key: WOZCKNFWDWQDSK-MVWQXSCRSA-N
SMILES: [C@@]12([C@H]([C@H]3[C@H](C[C@@H]2O)[C@@]2([C@H](C[C@H]3O)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,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-2'-deoxycytidine
5-{[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-2'-deoxycytidine
Authors of compound