Cytochalasin K
[(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-19-benzyl-7,9,16,17-tetramethyl-2,5,21-trioxo-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-trien-6-yl] acetate
Also Known As: Cytochalasin K|5-Amino-2-thiocytosine|HY-N10290|3H-Cyclotridec(d)oxireno(f)isoindole-8,11,12(13H)-trione,7-(acetyloxy)-4,7,14,14a,15,15a,16a,16b-octahydro-4,6,15,15a-tetramethyl-14-(phenylmethyl)-, (1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-|[(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-19-benzyl-7,9,16,17-tetramethyl-2,5,21-trioxo-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-trien-6-yl] acetate|3H-Cyclotridec(d)oxireno(f)isoindole-8,11,12(13H)-trione, 7-(acetyloxy)-4,7,14,14a,15,15a,16a,16b-octahydro-4,6,15,15a-tetramethyl-14-(phenylmethyl)-, (1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-
| Molecular Formula | C32H37NO6 |
|---|---|
| Molecular Weight | 531.2621 g/mol |
| LogP | 3.9219 |
| Topological Polar Surface Area | 102.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 531.2621 |
| Monoisotopic Mass | 531.2621 |
| Heavy Atoms | 39 |
| Complexity | 1280.5834 |
Chemical Identifiers
| CAS Number | 79648-72-9 |
|---|---|
| SMILES | C[C@H]/1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)OC(=O)C)C(=O)N[C@H]4CC5=CC=CC=C5)C)C |
Product Overview
Cytochalasin K (CAS 79648-72-9), with molecular formula C32H37NO6 and molecular weight 531.2621 g/mol. IUPAC: [(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-19-benzyl-7,9,16,17-tetramethyl-2,5,21-trioxo-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-trien-6-yl] acetate.