566-28-9
Product Name:
7-KETOCHOLESTEROL
Formula:
C27H44O2
Synonyms:
3β-Hydroxy-5-cholesten-7-one;7-Ketocholesterol;7-oxocholesterol; 7-oxo-5-cholesten-3β-ol-7-one; 5-cholesten-3β-ol-7-one; 3β-hydroxycholest-5-en-7-one; 110806
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 208.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 400.6 g/mol |
|---|---|
| XLogP3 | 7.5 |
| 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
7-ketocholesterol is a cholestanoid that consists of cholesterol bearing an oxo substituent at position 7. It has a role as a neuroprotective agent. It is a 3beta-sterol, a cholestanoid, a 7-oxo steroid and a 3beta-hydroxy-Delta(5)-steroid. It is functionally related to a cholesterol.