Marino-Bufotoxin
[CAS# 30685-91-7]

Identification

• Name: Marino-Bufotoxin
• Molecular Formula: C₃₈H₅₆N₄O₉
• Molecular Weight: 712.88
• CAS Registry Number: 30685-91-7
• SMILES: [C@]235[C@@]([C@@H](C1=COC(C=C1)=O)C[C@H]2O3)(CC[C@@H]6[C@]4(CC[C@@H](C[C@]4(CC[C@@H]56)O)OC(=O)CCCCCCC(N[C@@H](C(=O)O)CCCN=C(N)N)=O)C)C
• InChI: 1S/C38H56N4O9/c1-35-16-13-24(50-32(45)10-6-4-3-5-9-30(43)42-28(33(46)47)8-7-19-41-34(39)40)21-37(35,48)18-15-26-25(35)14-17-36(2)27(20-29-38(26,36)51-29)23-11-12-31(44)49-22-23/h11-12,22,24-29,48H,3-10,13-21H2,1-2H3,(H,42,43)(H,46,47)(H4,39,40,41)/t24-,25-,26+,27+,28+,29+,35+,36+,37-,38+/m0/s1
• InChIKey: SRSJNASBFYXJMJ-GFJAXGORSA-N