Molecular Formula: C36H53N3O8
Molecular weight: 655.82132
InChi: InChI=1S/C36H53N3O8/c1-20(25-9-10-26-24-8-7-22-15-23(41)12-13-35(22,2)27(24)16-30(43)36(25,26)3)6-11-31(44)37-14-4-5-21-18-39(34(46)38-33(21)45)32-17-28(42)29(19-40)47-32/h18,20,22-30,32,40-43H,6-17,19H2,1-3H3,(H,37,44)(H,38,45,46)/t20-,22-,23-,24+,25-,26+,27+,28+,29-,30+,32-,35+,36-/m1/s1
InChi Key: AFHQEVJDRJKROY-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)[nH]c1=O)C)C
Chemical Name
5-{[(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-2'-deoxyuridine
5-{[(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-2'-deoxyuridine
Authors of compound