CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 3255 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 400.6 g/mol |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 400.334130642 g/mol |
| Monoisotopic Mass | 400.334130642 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 663 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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
22-ketocholesterol is a 3beta-sterol that is cholesterol carrying an oxo group at position 22. It has a role as an EC 1.14.15.6 cholesterol monooxygenase (side-chain-cleaving) inhibitor. It is a 3beta-sterol, a cholestanoid and a 3beta-hydroxy-Delta(5)-steroid.