Surugatoxin
[CAS# 40957-92-4]

Identification

• Name: Surugatoxin
• Synonyms: (2,3,4,5,6-Pentahydroxycyclohexyl) 6'-Bromo-6A,9-Dihydroxy-9-Methyl-1,2',3,10-Tetraoxo-Spiro[4,6,7,11A-Tetrahydropyrido[1,2-F]Pteridine-8,3'-Indoline]-7-Carboxylate; 6'-Bromo-6A,9-Dihydroxy-9-Methyl-1,2',3,10-Tetraoxo-7-Spiro[4,6,7,11A-Tetrahydropyrido[1,2-F]Pteridine-8,3'-Indoline]Carboxylic Acid (2,3,4,5,6-Pentahydroxycyclohexyl) Ester; 6'-Bromo-6A,9-Dihydroxy-1,2',3,10-Tetraketo-9-Methyl-Spiro[4,6,7,11A-Tetrahydropyrido[1,2-F]Pteridine-8,3'-Indoline]-7-Carboxylic Acid (2,3,4,5,6-Pentahydroxycyclohexyl) Ester
• Molecular Formula: C₂₅H₂₆BrN₅O₁₃
• Molecular Weight: 684.41
• CAS Registry Number: 40957-92-4
• SMILES: C1=CC(=CC6=C1C3(C(C)(C(=O)N2C5C(=NCC2(O)C3C(=O)OC4C(C(C(O)C(O)C4O)O)O)NC(=O)NC5=O)O)C(N6)=O)Br
• InChI: 1S/C25H26BrN5O13/c1-23(42)21(40)31-9-17(29-22(41)30-18(9)37)27-5-24(31,43)16(25(23)7-3-2-6(26)4-8(7)28-20(25)39)19(38)44-15-13(35)11(33)10(32)12(34)14(15)36/h2-4,9-16,32-36,42-43H,5H2,1H3,(H,28,39)(H2,27,29,30,37,41)
• InChIKey: UVZLBJYVHGTOFH-UHFFFAOYSA-N

Properties

• Density: 2.326g/cm³ (Cal.)