Cordycepin-trimer 5'-(vitamin d2 succinate)

Structural Information

Molecular Formula

C₆₂H₈₃N₁₅O₁₆P₂

SMILES

C[C@@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)OC(=O)CCC(=O)OCC4CC(C(O4)N5C=NC6=C(N=CN=C65)N)OP(=O)(O)OCC7CC(C(O7)N8C=NC9=C(N=CN=C98)N)OP(=O)(O)OCC1CC(C(O1)N1C=NC2=C(N=CN=C21)N)O)C

InChI

InChI=1S/C62H83N15O16P2/c1-33(2)34(3)9-10-36(5)43-15-16-44-37(8-7-19-62(43,44)6)12-13-38-20-39(14-11-35(38)4)88-49(80)18-17-48(79)85-24-41-22-46(60(90-41)76-31-73-51-54(64)67-28-70-57(51)76)92-95(83,84)87-26-42-23-47(61(91-42)77-32-74-52-55(65)68-29-71-58(52)77)93-94(81,82)86-25-40-21-45(78)59(89-40)75-30-72-50-53(63)66-27-69-56(50)75/h9-10,12-13,27-34,36,39-47,59-61,78H,4,7-8,11,14-26H2,1-3,5-6H3,(H,81,82)(H,83,84)(H2,63,66,69)(H2,64,67,70)(H2,65,68,71)/b10-9+,37-12+,38-13-/t34-,36-,39+,40?,41?,42?,43+,44-,45?,46?,47?,59?,60?,61?,62+/m0/s1

InChIKey

FXRDYBCYPDTOSO-HLXDOUCTSA-N

Compound name

4-O-[(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] 1-O-[[5-(6-aminopurin-9-yl)-4-[[5-(6-aminopurin-9-yl)-4-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl] butanedioate

Related CIDs

• CID 11970168