≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | 504760786 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760786 |
| Sonrisas canónicas | 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] nonanoate |
| InChIKey | WCLNGBQPTVENHV-MKQVXYPISA-N |
| INCHI | 1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1 |
| Isómeros SMILES | CCCCCCCCC(=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 Alemania | 3 |
| Peso molecular | 526.89 |
| Beilstein | 3179820 |
| Reaxy-Rn | 2067164 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2067164&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 |
| Clase | 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 |
| Descripción | 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 |
| Solubilidad | Soluble in chloroform, tetrahydrofuran |
|---|---|
| Rotación específica [α] | [α]25/D -30°, c = 2 in chloroform |
| Punto de fusión (°C) | 74-77 °C |
| Peso molecular | 526.900 g/mol |
| XLogP3 | 12.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 14 |
| Exact Mass | 526.475 Da |
| Monoisotopic Mass | 526.475 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 797.000 |
| 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. Fang Li, Nuotong Shen, Limin Zhang, Chen Yang, Zijun Ma, Junhao Gao, Bing Li, Fengshan Shen, Weijun Kong. (2025) Skin-Conformal Multifunctional Microfluidic Colorimetric Detection Device for Multiplexed Sweat Analysis. ACS Sensors, [PMID:40746283] [10.1021/acssensors.5c01354] |
H2303679