Actinoidin
[CAS# 39319-82-9]

Identification

• Name: Actinoidin
• Synonyms: Actinoidins
• Molecular Formula: C₈₄H₉₄ClN₉O₃₁
• Molecular Weight: 1761.16
• CAS Registry Number: 39319-82-9
• SMILES: [C@H]%14(OC1=CC(=CC%10=C1C2=C(O)C=CC(=C2)C9NC(=O)C6NC(=O)C(NC(=O)C(NC(=O)C(N)C3=CC=C(O)C=C3)C(O)C%12=CC=C(OC7=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H]([C@H](O)[C@@H](N)C5)C)CO)C(=CC6=C7)OC%11=C(Cl)C=C(C(O[C@@H]8O[C@H]([C@H](OC)[C@@H](N)C8)C)C(NC9=O)C(=O)NC%10C(=O)O)C=C%11)C=C%12)CC%13=CC=CC=C%13)O)O[C@@H]([C@@H](O)[C@H](O)[C@@H]%14O)CO
• InChI: 1S/C84H94ClN9O31/c1-32-65(100)46(86)28-56(116-32)124-75-70(105)68(103)55(31-96)122-84(75)125-74-52-24-39-25-53(74)119-50-20-14-38(23-45(50)85)73(123-57-29-47(87)72(115-3)33(2)117-57)64-81(112)92-62(82(113)114)44-26-41(98)27-51(120-83-71(106)69(104)67(102)54(30-95)121-83)58(44)43-22-37(13-19-49(43)99)60(78(109)94-64)91-79(110)61(39)90-76(107)48(21-34-7-5-4-6-8-34)89-80(111)63(66(101)36-11-17-42(118-52)18-12-36)93-77(108)59(88)35-9-15-40(97)16-10-35/h4-20,22-27,32-33,46-48,54-57,59-73,75,83-84,95-106H,21,28-31,86-88H2,1-3H3,(H,89,111)(H,90,107)(H,91,110)(H,92,112)(H,93,108)(H,94,109)(H,113,114)/t32-,33-,46-,47-,48?,54+,55+,56-,57-,59?,60?,61?,62?,63?,64?,65-,66?,67+,68+,69-,70-,71-,72-,73?,75+,83-,84-/m0/s1
• InChIKey: FHIABUHDBXFQIT-JSNQUVIDSA-N

Properties

• Density: 1.66g/cm³ (Cal.)