Marino-bufotoxin
(2R)-5-(diaminomethylideneamino)-2-[[8-[[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid
Also Known As: Marino-bufotoxin|3-((8-((4-Carbamimidamido-1-carboxybutyl)imino)-8-hydroxyoctanoyl)oxy)-5-hydroxy-14,15-epoxybufa-20,22-dienolide|3-({8-[(4-Carbamimidamido-1-carboxybutyl)imino]-8-hydroxyoctanoyl}oxy)-5-hydroxy-14,15-epoxybufa-20,22-dienolide|3beta-[(8-{[(1R)-4-(Carbamimidoylamino)-1-carboxybutyl]imino}-8-hydroxyoctanoyl)oxy]-5-hydroxy-5beta,15beta-14,15-epoxybufa-20,22-dienolide
| Molecular Formula | C38H56N4O9 |
|---|---|
| Molecular Weight | 712.4047 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 712.4047 |
| Monoisotopic Mass | 712.4047 |
| Heavy Atoms | 51 |
| Complexity | 1480.0 |
Chemical Identifiers
| CAS Number | 30685-91-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)OC(=O)CCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)O |
| InChIKey | SRSJNASBFYXJMJ-GFJAXGORSA-N |
Product Overview
Marino-bufotoxin (CAS 30685-91-7), with molecular formula C38H56N4O9 and molecular weight 712.4047 g/mol. IUPAC: (2R)-5-(diaminomethylideneamino)-2-[[8-[[(1R,2S,4R,6R,7R,10S,11R,14S,16S)-16-hydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-8-oxooctanoyl]amino]pentanoic acid.
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