CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 3357 3342.9 3348.9 3355.7 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 456.7 g/mol |
|---|---|
| XLogP3 | 9.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 456.396730897 g/mol |
| Monoisotopic Mass | 456.396730897 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 737 |
| 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
Beta-sitosterol 3-O-acetate is a steroid ester obtained by the formal condensation of the hydroxy group of beta-sitosterol with acetic acid. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as a fungal metabolite and a plant metabolite. It is an acetate ester and a steroid ester. It is functionally related to a sitosterol. It derives from a hydride of a stigmastane.