24516-39-0
Product Name:
CHOLESTERYL ERUCATE
Formula:
C49H86O2
Synonyms:
3β-Hydroxy-5-cholestene 3-erucate;5-Cholesten-3β-ol 3-erucate;Cholesteryl cis-13-docosenoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Sigma-Aldrich MSDS] |
|---|---|
| Collision Cross Section | 303.1 Ų [M+NH4]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)] |
| Chemical Classes | Biological Agents -> Cholesterol and Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 707.2 g/mol |
|---|---|
| XLogP3 | 18.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 26 |
| Exact Mass | 706.66278198 g/mol |
| Monoisotopic Mass | 706.66278198 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1040 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cholest-5-en-3b-yl (13Z-docosenoate) is a cholesteryl ester.