Chaetoglobosin B diacetate
[(3E,6R,7Z,9S,11E,13R,14S,17R,18S)-6-acetyloxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-2,5,20-trioxo-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,15-tetraen-14-yl] acetate
Also Known As: Chaetoglobosin B diacetate|2-(Hydroxymethylene)-6-(isopropyl)-3-methylcyclohexan-1-one|(13)Cytochalasa-5,13,17,21-tetraene-1,20,23-trione, 7,19-bis(acetyloxy)-10-(1H-indol-3-yl)-16,18-dimethyl-, (7S,13E,16S,17E,19R,21E)-|(7S,13E,16S,17E,19R,21E)-7,19-Bis(acetyloxy)-10-(1H-indol-3-yl)-16,18-dimethyl-(13)cytochalasa-5,13,17,21-tetraene-1,20,23-trione|[13]Cytochalasa-5,13,17,21-tetraene-1,20,23-trione, 7,19-bis(acetyloxy)-10-(1H-indol-3-yl)-16,18-dimethyl-
| Molecular Formula | C36H40N2O7 |
|---|---|
| Molecular Weight | 612.28357 g/mol |
| LogP | 4.8777 |
| Topological Polar Surface Area | 131.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 612.28357 |
| Monoisotopic Mass | 612.28357 |
| Heavy Atoms | 45 |
| Complexity | 1691.3364 |
Chemical Identifiers
| CAS Number | 50416-39-2 |
|---|---|
| SMILES | C[C@H]/1C/C=C/[C@H]2[C@@H](C(=C([C@@H]3C2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)OC(=O)C)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C)OC(=O)C |
Product Overview
Chaetoglobosin B diacetate (CAS 50416-39-2), with molecular formula C36H40N2O7 and molecular weight 612.28357 g/mol. IUPAC: [(3E,6R,7Z,9S,11E,13R,14S,17R,18S)-6-acetyloxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-2,5,20-trioxo-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,15-tetraen-14-yl] acetate.
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