司盘85(26266-58-0)红外图谱(IR1)
分子式:C60H108O8
分子量: 957.49
InChI:InChI=1/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-52-54(61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-66-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55+,59-,60-/s3
InChIKey: ZBNRGEMZNWHCGA-UMDYBBDUNA-N
Smiles:[C@@H]1(OC(=O)CCCCCCC/C=C\CCCCCCCC)[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CO[C@]1([H])[C@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC |&1:0,21,44,46,r|