Molecular Formula: C38H54N4O7
Molecular weight: 678.85796
InChi: InChI=1S/C38H54N4O7/c1-21(25-7-8-26-34-27(11-13-38(25,26)3)37(2)12-10-24(44)15-23(37)16-29(34)46)6-9-32(47)48-14-4-5-22-18-42(31-17-28(45)30(19-43)49-31)36-33(22)35(39)40-20-41-36/h18,20-21,23-31,34,43-46H,6-17,19H2,1-3H3,(H2,39,40,41)/t21-,23+,24-,25-,26+,27+,28+,29-,30-,31-,34+,37+,38-/m1/s1
InChi Key: DTTWXFXSYZITLO-FDWCJJILSA-N
SMILES: [C@@]12([C@H]([C@H]3[C@H](CC2)[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-dihydroxy-24-oxo-5β-cholan-24-yl)oxy]prop-1-yn-1-yl}-7-deaza-2'-deoxyadenosine
7-{[(3α,7α-dihydroxy-24-oxo-5β-cholan-24-yl)oxy]prop-1-yn-1-yl}-7-deaza-2'-deoxyadenosine
Authors of compound