Molecular Formula: C38H54N4O8
Molecular weight: 694.85736
InChi: InChI=1S/C38H54N4O8/c1-20(24-7-8-25-34-26(15-30(47)38(24,25)3)37(2)11-10-23(44)13-22(37)14-28(34)46)6-9-32(48)49-12-4-5-21-17-42(31-16-27(45)29(18-43)50-31)36-33(21)35(39)40-19-41-36/h17,19-20,22-31,34,43-47H,6-16,18H2,1-3H3,(H2,39,40,41)/t20-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,34+,37+,38-/m1/s1
InChi Key: NMDRFIPZJHIHCG-WXBCDNOWSA-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#Cc1c2c(n(c1)[C@@H]1O[C@@H]([C@H](C1)O)CO)ncnc2N)C)C
Chemical Name
7-{[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)oxy]prop-1-yn-1-yl}-7-deaza-2'-deoxyadenosine
7-{[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)oxy]prop-1-yn-1-yl}-7-deaza-2'-deoxyadenosine
Authors of compound