Isozygosporin A
[(1R,2R,3Z,5R,7S,9Z,11R,12S,14S,15R,16S)-16-benzyl-2,5-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-12-yl] acetate
Also Known As: Isozygosporin A|Isocytochalasin D|(11)Cytochalasa-6(12),13,19-triene-1,17-dione, 7-(acetyloxy)-18,21-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-|1H-Cycloundec(d)isoindole-1,11(2H)-dione, 3-benzyl-3,3a,4,5,6,6a,9,10,12,15-decahydro-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylene-, 6-acetate, (E,E)-(3S,3aR,4S,6S,6aR,10S,12R,15R,15aR)-
| Molecular Formula | C30H37NO6 |
|---|---|
| Molecular Weight | 507.2621 g/mol |
| LogP | 2.9171 |
| Topological Polar Surface Area | 112.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 507.2621 |
| Monoisotopic Mass | 507.2621 |
| Heavy Atoms | 37 |
| Complexity | 1137.9855 |
Chemical Identifiers
| CAS Number | 25367-05-9 |
|---|---|
| SMILES | C[C@H]1C/C=C\[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C\[C@@](C1=O)(C)O)O)C(=O)N[C@H]3CC4=CC=CC=C4)C)OC(=O)C |
Product Overview
Isozygosporin A (CAS 25367-05-9), with molecular formula C30H37NO6 and molecular weight 507.2621 g/mol. IUPAC: [(1R,2R,3Z,5R,7S,9Z,11R,12S,14S,15R,16S)-16-benzyl-2,5-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-12-yl] acetate.
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