N-Methylphalloidin
28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-10,23,31-trimethyl-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: N-Methylphalloidin|N(sup ind)-Methylphalloidin|Phalloidin, 6-(2-mercapto-1-methyl-L-tryptophan)-|Phalloidin,6-(2-mercapto-1-methyl-L-tryptophan)-(9ci)|Phalloidin,6-(2-mercapto-1-methyl-L-tryptophan)- (9CI)|29-(2,3-dihydroxy-2-methylpropyl)-2-hydroxy-23-(1-hydroxyethyl)-6,15,26-trimethyl-1,2,3,3a,5,6,8,9,10,15-decahydro-17h-18,9-(epiminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':5,6][1,5,8,11thiatriazacyclopentadecino[15,14-b]indole-4,7,19,22,25,28,31(18h)-heptone|28-(2,3-Dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-10,23,31-trimethyl-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 | C36H50N8O11S |
|---|---|
| Molecular Weight | 802.332 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 306.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 802.332 |
| Monoisotopic Mass | 802.332 |
| Heavy Atoms | 56 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 3984-30-3 |
|---|---|
| SMILES | CC1C(=O)NC2CC3=C(N(C4=CC=CC=C34)C)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C)C(C)O |
| InChIKey | XHUXYGHEHCWWIN-UHFFFAOYSA-N |
Product Overview
N-Methylphalloidin (CAS 3984-30-3), with molecular formula C36H50N8O11S and molecular weight 802.332 g/mol. IUPAC: 28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-10,23,31-trimethyl-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.