Molecular Formula: C38H55N5O6
Molecular weight: 677.8732
InChi: InChI=1S/C38H55N5O6/c1-21(26-9-10-27-25-8-7-23-15-24(45)12-13-37(23,2)28(25)16-31(47)38(26,27)3)6-11-32(48)40-14-4-5-22-18-43(33-17-29(46)30(19-44)49-33)36-34(22)35(39)41-20-42-36/h18,20-21,23-31,33,44-47H,6-17,19H2,1-3H3,(H,40,48)(H2,39,41,42)/t21-,23-,24-,25+,26-,27+,28+,29+,30-,31+,33-,37+,38-/m1/s1
InChi Key: LBVLGZCOTQBMCS-OYWLGBLHSA-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#Cc1c2c(n(c1)[C@@H]1O[C@@H]([C@H](C1)O)CO)ncnc2N)C)C
Chemical Name
7-{[(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-7-deaza-2'-deoxyadenosine
7-{[(3α,12α-dihydroxy-24-oxo-5β-cholan-24-yl)amino]prop-1-yn-1-yl}-7-deaza-2'-deoxyadenosine
Authors of compound