COMPUTED DESCRIPTORS
| Molecular Weight | 477.6 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 477.28790873 g/mol |
| Monoisotopic Mass | 477.28790873 g/mol |
| Topological Polar Surface Area | 75.6 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 872 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
[(3E,9E)-16-Benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate is a natural product found in Hypoxylon fragiforme with data available.