≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 504763511 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763511 |
| Canonical Smiles | CCCCCC=CCC=CCCCCCCCC(=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] (9Z,12Z)-octadeca-9,12-dienoate |
| InChIKey | NAACPBBQTFFYQB-LJAITQKLSA-N |
| INCHI | 1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1 |
| Isomeric SMILES | CCCCC/C=C\C/C=C\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 |
| WGK Germany | 3 |
| Alternate CAS | 70190-89-5 |
| Molecular Weight | 649.1 |
| Reaxy-Rn | 2343142 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2343142&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 Lineolic acids and derivatives 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 - Octadecanoid - 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 |
|---|---|---|---|
 H2429293 | Certificate of Analysis | Jun 09, 2026 | C136957 |
| H2429294 | Certificate of Analysis | Jun 09, 2026 | C136957 |
| J2014122 | Certificate of Analysis | Feb 05, 2026 | C136957 |
| J2014121 | Certificate of Analysis | Feb 05, 2026 | C136957 |
| G2318550 | Certificate of Analysis | May 09, 2025 | C136957 |
| G2318562 | Certificate of Analysis | May 09, 2025 | C136957 |
| G2318565 | Certificate of Analysis | May 09, 2025 | C136957 |
| G2318575 | Certificate of Analysis | May 09, 2025 | C136957 |
| D2622106 | Certificate of Analysis | Jul 23, 2024 | C136957 |
| H2429285 | Certificate of Analysis | Jul 23, 2024 | C136957 |
| I2510117 | Certificate of Analysis | Jul 23, 2024 | C136957 |
| F2506422 | Certificate of Analysis | Jun 27, 2024 | C136957 |
| F2518664 | Certificate of Analysis | Jun 27, 2024 | C136957 |
| G2318543 | Certificate of Analysis | Jun 19, 2023 | C136957 |
| G2318564 | Certificate of Analysis | Jun 19, 2023 | C136957 |
| J2014123 | Certificate of Analysis | Aug 11, 2022 | C136957 |
| E2311185 | Certificate of Analysis | Aug 11, 2022 | C136957 |
| Flash Point(°F) | >235.4 °F |
|---|---|
| Flash Point(°C) | >113 °C |
| Molecular Weight | 649.100 g/mol |
| XLogP3 | 15.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 21 |
| Exact Mass | 648.585 Da |
| Monoisotopic Mass | 648.585 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1020.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
| 1. Qiong Wu, Jing Yu, Mingjin Zhang, Yinran Xiong, Lijia Zhu, Bo Wei, Ting Wu, Yiping Du. (2023) Serum lipidomic profiling for liver cancer screening using surface-assisted laser desorption ionization MS and machine learning. TALANTA, [PMID:37931569] [10.1016/j.talanta.2023.125371] |
