3'-deoxyadenylyl-(2'->5')-3'-deoxyadenylyl-(2'->5')-2'-o-{[2-(cholest-5-en-3.beta.-yloxycarbonyl)ethyl]carbonyl}- 3'-deoxyadenosine

Structural Information

Molecular Formula

C₆₁H₈₅N₁₅O₁₆P₂

SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O[C@@H]5C[C@H](O[C@H]5N6C=NC7=C(N=CN=C76)N)COP(=O)(O)O[C@@H]8C[C@H](O[C@H]8N9C=NC1=C(N=CN=C19)N)COP(=O)(O)O[C@@H]1C[C@H](O[C@H]1N1C=NC2=C(N=CN=C21)N)CO)C)C

InChI

InChI=1S/C61H85N15O16P2/c1-32(2)7-6-8-33(3)40-11-12-41-39-10-9-34-19-35(15-17-60(34,4)42(39)16-18-61(40,41)5)86-46(78)13-14-47(79)90-43-21-37(88-57(43)74-29-71-48-51(62)65-26-68-54(48)74)24-84-94(82,83)92-45-22-38(89-59(45)76-31-73-50-53(64)67-28-70-56(50)76)25-85-93(80,81)91-44-20-36(23-77)87-58(44)75-30-72-49-52(63)66-27-69-55(49)75/h9,26-33,35-45,57-59,77H,6-8,10-25H2,1-5H3,(H,80,81)(H,82,83)(H2,62,65,68)(H2,63,66,69)(H2,64,67,70)/t33?,35?,36-,37-,38-,39?,40?,41?,42?,43+,44+,45+,57+,58+,59+,60?,61?/m0/s1

InChIKey

YSEKNKJXBMXLML-JGDMYJHRSA-N

Compound name

4-O-[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] 1-O-[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanedioate

Related CIDs

• CID 460501