化学式

CAS号

IUPAC Name

7,16,25-tritert-丁基-36-羟基-2,11,20,29,35,40,41,42,43-nonazadecacyclo[28.9.1.13,10.112,19.121,28.04,9.013,18.022,27.031,39.033,37]tritetraconta-1,3(43),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(41),29,31,33(37),35,38-icosaen-34-酮 7,16,25-tritert-butyl-36-hydroxy-2,11,20,29,35,40,41,42,43-nonazadecacyclo[28.9.1.13,10.112,19.121,28.04,9.013,18.022,27.031,39.033,37]tritetraconta-1,3(43),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(41),29,31,33(37),35,38-icosaen-34-one

InChI

InChI=1S/C46H41N9O2/c1-44(2,3)21-10-13-24-27(16-21)37-47-34(24)48-38-28-17-22(45(4,5)6)11-14-25(28)36(50-38)52-40-30-19-32-33(43(57)55-42(32)56)20-31(30)41(54-40)53-39-29-18-23(46(7,8)9)12-15-26(29)35(49-37)51-39/h10-20H,1-9H3,(H,55,56,57)(H2,47,48,49,50,51,52,53,54)

InChI Key

MZSBEPYPFOAUCL-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)C1=CC2=C(C=C1)C3=NC4=C5C=C(C=CC5=C(N4)N=C6C7=C(C=CC(=C7)C(C)(C)C)C(=N6)N=C8C9=CC1=C(C=C9C(=NC2=N3)N8)C(=O)N=C1O)C(C)(C)C

别名