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Basic Description
| Synonyms | 5-Cholesten-3beta-ol caproate | Cholesteryl hexanoate | cholesterol caproate | AS-58820 | Hexanoic Acid Cholesterol Ester | Cholest-5-en-3-ol (3beta)-, hexanoate | Cholesteryl caproate | HY-W127331 | EINECS 213-899-1 | cholesterol n-hexanoate | [(3S,8S,9S |
|---|---|
| Specifications & Purity | ≥95% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
- Subclass Steroid esters
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Steroid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cholesteryl esters |
| Alternative Parents | Cholesterols and derivatives Delta-5-steroids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Cholesteryl ester - Cholesterol - Cholestane-skeleton - Delta-5-steroid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cholesteryl esters. These are compounds containing an esterified cholestane moiety. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504756503 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756503 |
| 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] hexanoate |
| INCHI | InChI=1S/C33H56O2/c1-7-8-9-13-31(34)35-26-18-20-32(5)25(22-26)14-15-27-29-17-16-28(24(4)12-10-11-23(2)3)33(29,6)21-19-30(27)32/h14,23-24,26-30H,7-13,15-22H2,1-6H3/t24-,26+,27+,28-,29+,30+,32+,33-/m1/s1 |
| InChIKey | FPBODWXATDKICU-FLFWOSPYSA-N |
| Smiles | CCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C |
| Isomeric SMILES | CCCCCC(=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 |
| Molecular Weight | 484.81 |
| Reaxy-Rn | 2066417 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2066417&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2313354 |
Certificate of Analysis | Jun 01, 2023 | C153368 |
| G2313347 |
Certificate of Analysis | Jun 01, 2023 | C153368 |
| G2313356 |
Certificate of Analysis | Jun 01, 2023 | C153368 |
| G2313355 |
Certificate of Analysis | Jun 01, 2023 | C153368 |
Chemical and Physical Properties
| Molecular Weight | 484.800 g/mol |
|---|---|
| XLogP3 | 11.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 11 |
| Exact Mass | 484.428 Da |
| Monoisotopic Mass | 484.428 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 752.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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