COMPUTED DESCRIPTORS
| Molecular Weight | 406.6 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 406.27192431 g/mol |
| Monoisotopic Mass | 406.27192431 g/mol |
| Topological Polar Surface Area | 72.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 614 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
[(1S,3S,4aR,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] (2S)-2-methylbutanoate is a natural product found in Monascus purpureus with data available.