COMPUTED DESCRIPTORS
| Molecular Weight | 458.7 g/mol |
|---|---|
| XLogP3 | 8.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 458.37599545 g/mol |
| Monoisotopic Mass | 458.37599545 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 794 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-[(3S,6R,9As,9bS)-3-(2-hydroxy-6-methylhept-5-en-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid is a natural product found in Shorea robusta with data available.