Phalloin
18-hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxy-2-methylpropyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
Also Known As: PHALLOIN|Phalloine|RefChem:860501|HSDB 3525|AC1L1R40|Phalloidin, 7-(4-hydroxy-L-leucine)-|Q9257868|18-hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxy-2-methylpropyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone|18,21,24,26,29,32,35-heptahydroxy-28-(2-hydroxy-2-methylpropyl)-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo(12.11.11.03,11.04,9.016,20)hexatriaconta-3(11),4,6,8,21,24,26,29,32,35-decaen-15-one|18-hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxy-2-methylpropyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo(12.11.11.03,11.04,9.016,20)hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
| Molecular Formula | C35H48N8O10S |
|---|---|
| Molecular Weight | 772.3214 g/mol |
| LogP | -2.72 |
| Topological Polar Surface Area | 271.39 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 772.3214 |
| Heavy Atoms | 54 |
| Complexity | 1811.0 |
Chemical Identifiers
| CAS Number | 28227-92-1 |
|---|---|
| SMILES | CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(C)O)C)C(C)O |
Product Overview
Phalloin (CAS 28227-92-1), with molecular formula C35H48N8O10S and molecular weight 772.3214 g/mol. IUPAC: 18-hydroxy-34-(1-hydroxyethyl)-28-(2-hydroxy-2-methylpropyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone.
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