Anantin
[CAS# 133658-45-4]

Identification

• Name: Anantin
• Molecular Formula: C₉₀H₁₁₁N₂₁O₂₄
• Molecular Weight: 1870.99
• CAS Registry Number: 133658-45-4
• SMILES: C1=CC=CC2=C1[NH]C=C2CC3C(NCC(NC(CC(=O)N)C(=O)NC(CC(NCC(=O)NC(C(NC(C(NCC(N3)=O)=O)C(CC)C)=O)CC4=CC=CC=C4)=O)C(=O)NC(C(CC)C)C(NC(C(NCC(NC(CC5=NC=C[NH]5)C(NC(CC6=CC=C(C=C6)O)C(NC(CO)C(NCC(=O)NC(CC(O)=O)C(=O)NC(CC7=CC=CC=C7)C(O)=O)=O)=O)=O)=O)=O)CC8=CC=CC=C8)=O)=O)=O
• InChI: 1S/C90H111N21O24/c1-5-48(3)77-88(132)99-46-75(120)101-61(36-54-41-94-57-25-17-16-24-56(54)57)80(124)97-43-72(117)102-62(37-68(91)114)83(127)106-64(39-70(115)95-42-71(116)100-59(86(130)110-77)33-51-20-12-8-13-21-51)87(131)111-78(49(4)6-2)89(133)107-58(32-50-18-10-7-11-19-50)79(123)96-44-73(118)103-63(38-69-92-30-31-93-69)84(128)105-60(34-53-26-28-55(113)29-27-53)82(126)109-67(47-112)81(125)98-45-74(119)104-65(40-76(121)122)85(129)108-66(90(134)135)35-52-22-14-9-15-23-52/h7-31,41,48-49,58-67,77-78,94,112-113H,5-6,32-40,42-47H2,1-4H3,(H2,91,114)(H,92,93)(H,95,115)(H,96,123)(H,97,124)(H,98,125)(H,99,132)(H,100,116)(H,101,120)(H,102,117)(H,103,118)(H,104,119)(H,105,128)(H,106,127)(H,107,133)(H,108,129)(H,109,126)(H,110,130)(H,111,131)(H,121,122)(H,134,135)
• InChIKey: HRBHNVYMFUKZPZ-UHFFFAOYSA-N

Properties

• Density: 1.325g/cm³ (Cal.)
• Boiling point: 2267.3°C at 760 mmHg (Cal.)
• Flash point: 1325°C (Cal.)