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Cholesterol n-Octanoate

CAT: 0804-HY-W127349Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W127349Size:1 g
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Description
Cholesterol n-Octanoate is an organic compound belonging to the class of esters. It is formed from the reaction between cholesterol and caprylic acid. Cholesterol n-octanoate has various applications in the pharmaceutical industry, notably as a bioactive compound with potential research potential to improve a range of medical conditions, such as high cholesterol and inflammation-related diseases. Additionally, it has potential applications as a food additive to improve texture and stability.
CAS Number
1182-42-9
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Liposome
Type
Biochemical Assay Reagents
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cholesterol-n-octanoate.html
Purity
98.0
Solubility
10 mM in DMSO
Smiles
CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1
Molecular Formula
C35H60O2
Molecular Weight
512.85
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature, keep dry and cool
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Cholesteryl caprylate

used for breath tests for detection of pancreatic insufficiency in rats

CAS Number1182-42-9
PubChem CID102015
IUPAC Name[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octanoate
Molecular FormulaC35H60O2
Molecular Weight512.8
XLogP12.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count37
Formal Charge0
Complexity782
SMILES
CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI
InChI=1S/C35H60O2/c1-7-8-9-10-11-15-33(36)37-28-20-22-34(5)27(24-28)16-17-29-31-19-18-30(26(4)14-12-13-25(2)3)35(31,6)23-21-32(29)34/h16,25-26,28-32H,7-15,17-24H2,1-6H3/t26-,28+,29+,30-,31+,32+,34+,35-/m1/s1
InChIKey
SKLBBRQPVZDTNM-SJTWHRLHSA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl caprylate
CAS: 1182-42-9
CID: 102015
Formula: C35H60O2
MW: 512.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.8
XLogP312.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass512.45933115
Monoisotopic Mass512.45933115
Topological Polar Surface Area26.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity782
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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HY-W014206-01Isopentyl octanoate
HY-W127520-01Butyl octanoate
HY-156802Cetyl octanoate
HY-W001958-01Monomethyl octanoate
HY-W087943-01Methyl octanoate

Alternative Products

CatalogName
FC61960-01Cholesterol n-Octanoate
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