Molecular Formula: C36H53N3O9
Molecular weight: 671.82072
InChi: InChI=1S/C36H53N3O9/c1-19(6-9-31(45)47-12-4-5-20-17-39(34(46)38-33(20)37)30-16-26(42)28(18-40)48-30)23-7-8-24-32-25(15-29(44)36(23,24)3)35(2)11-10-22(41)13-21(35)14-27(32)43/h17,19,21-30,32,40-44H,6-16,18H2,1-3H3,(H2,37,38,46)/t19-,21+,22-,23-,24+,25+,26+,27-,28-,29+,30-,32+,35+,36-/m1/s1
InChi Key: ZWRZGBUVSXMEEM-JMPKPUNGSA-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)OCC#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)oxy]prop-1-yn-1-yl}-2'-deoxycytidine
5-{[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)oxy]prop-1-yn-1-yl}-2'-deoxycytidine
Authors of compound