≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504758081 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758081 |
| Canonical Smiles | CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C |
| 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] hexadecanoate |
| InChIKey | BBJQPKLGPMQWBU-JADYGXMDSA-N |
| INCHI | 1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1 |
| Isomeric SMILES | CCCCCCCCCCCCCCCC(=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 |
| WGK Germany | 3 |
| Molecular Weight | 625.08 |
| Beilstein | 6(3)2640 |
| Reaxy-Rn | 1917757 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1917757&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| 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 | Steryl esters |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2609075 | Certificate of Analysis | Jun 18, 2026 | C135859 |
| K2224179 | Certificate of Analysis | Jun 09, 2026 | C135859 |
| K2224195 | Certificate of Analysis | Jun 09, 2026 | C135859 |
| K2224255 | Certificate of Analysis | Jun 09, 2026 | C135859 |
| J2019160 | Certificate of Analysis | Feb 05, 2026 | C135859 |
| I2214129 | Certificate of Analysis | Sep 20, 2022 | C135859 |
| J2019161 | Certificate of Analysis | Aug 12, 2022 | C135859 |
| J2019159 | Certificate of Analysis | Aug 12, 2022 | C135859 |
| Molecular Weight | 625.100 g/mol |
|---|---|
| XLogP3 | 16.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 21 |
| Exact Mass | 624.585 Da |
| Monoisotopic Mass | 624.585 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 904.000 |
| 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 |
| 1. Xiangxin Li, Yijing Pu, Yan Xu, Jiankang Cao, Weibo Jiang. (2021) Potential Hypolipidemic Effects of Banana Condensed Tannins Through the Interaction with Digestive Juice Components Related to Lipid Digestion. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:34324317] [10.1021/acs.jafc.1c02794] |
