35602-69-8
Product Name:
Cholesteryl stearate
Formula:
C45H80O2
Synonyms:
5-Cholesten-3β-yl octadecanoate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 291.9 Ų [M+NH4]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)] |
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COMPUTED DESCRIPTORS
Molecular Weight | 653.1 g/mol |
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XLogP3 | 17.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 23 |
Exact Mass | 652.61583179 g/mol |
Monoisotopic Mass | 652.61583179 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 47 |
Formal Charge | 0 |
Complexity | 934 |
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
Cholesteryl stearate is a cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of stearic acid. It has a role as a mouse metabolite. It is functionally related to an octadecanoic acid.