Toxiferine
[CAS# 302-30-7]

Identification

• Name: Toxiferine
• Synonyms: Toxiferine I, 2,2',16,16'-Tetradehydro-16,16',17,17'-Tetrahydro-; C09246
• Molecular Formula: C₄₀H₄₆N₄O₂
• Molecular Weight: 614.83
• CAS Registry Number: 302-30-7
• SMILES: [N@+]3%11([C@@H]2[C@@]9([C@H]\1N(\C=C7/[C@@H]5N(\C=C1[C@@H](C2)\C(C3)=C/CO)C4=CC=CC=C4[C@]56[C@H]8[N@@+](CC6)(CC(/[C@@H]7C8)=C/CO)C)C%10=CC=CC=C9%10)CC%11)C
• InChI: 1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1
• InChIKey: IIYHWTVUYIYKKG-QQRSFBQTSA-N