3-O-(Argininylsuberoyl)bufogenin
[CAS# 35455-32-4]

Identification

• Name: 3-O-(Argininylsuberoyl)bufogenin
• Molecular Formula: C₃₈H₅₆N₄O₈
• Molecular Weight: 696.88
• CAS Registry Number: 35455-32-4
• SMILES: [C@@]123O[C@@H]1C[C@@H]([C@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](OC(=O)CCCCCCC(=O)N[C@H](CCCN=C(N)N)C(O)=O)C5)C)C)C6=COC(=O)C=C6
• InChI: 1S/C38H56N4O8/c1-36-17-15-25(49-33(45)10-6-4-3-5-9-31(43)42-29(34(46)47)8-7-19-41-35(39)40)20-24(36)12-13-27-26(36)16-18-37(2)28(21-30-38(27,37)50-30)23-11-14-32(44)48-22-23/h11,14,22,24-30H,3-10,12-13,15-21H2,1-2H3,(H,42,43)(H,46,47)(H4,39,40,41)/t24-,25+,26+,27-,28-,29-,30-,36+,37-,38-/m1/s1
• InChIKey: PRMSQJQRXAFMHG-IXUIALERSA-N

Properties

• Density: 1.408g/cm³ (Cal.)