CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 208.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 3161 |
COMPUTED DESCRIPTORS
| Molecular Weight | 382.6 g/mol |
|---|---|
| XLogP3 | 8.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 382.323565959 g/mol |
| Monoisotopic Mass | 382.323565959 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 670 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| 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
Cholest-4,6-dien-3-one is a 3-oxo-Delta(4) steroid and a cholestanoid.