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Molecular Formula: C38H55N5O7
Molecular weight: 693.8726
InChi: InChI=1S/C38H55N5O7/c1-20(24-7-8-25-34-26(15-30(48)38(24,25)3)37(2)11-10-23(45)13-22(37)14-28(34)47)6-9-31(49)40-12-4-5-21-17-43(32-16-27(46)29(18-44)50-32)36-33(21)35(39)41-19-42-36/h17,19-20,22-30,32,34,44-48H,6-16,18H2,1-3H3,(H,40,49)(H2,39,41,42)/t20-,22+,23-,24-,25+,26+,27+,28-,29-,30+,32-,34+,37+,38-/m1/s1
InChi Key: VENNXNPBWBTTEO-QLAJLKOFSA-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)NCC#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)amino]prop-1-yn-1-yl}-7-deaza-2'-deoxyadenosine
External Links
PubChem