≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
An emulsifying agent
| Pubchem Sid | 488192162 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488192162 |
| Canonical Smiles | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)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] benzoate |
| InChIKey | UVZUFUGNHDDLRQ-LLHZKFLPSA-N |
| INCHI | 1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3/t24-,27+,28+,29-,30+,31+,33+,34-/m1/s1 |
| Isomeric SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C |
| WGK Germany | 3 |
| Molecular Weight | 490.76 |
| Beilstein | 3225829 |
| Reaxy-Rn | 2066354 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2066354&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 | Cholestane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cholesterols and derivatives |
| Alternative Parents | Delta-5-steroids Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Cholesterol - Delta-5-steroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2417255 | Certificate of Analysis | Jan 05, 2024 | C113813 |
| A2417256 | Certificate of Analysis | Jan 05, 2024 | C113813 |
| A2417257 | Certificate of Analysis | Jan 05, 2024 | C113813 |
| A2417258 | Certificate of Analysis | Jan 05, 2024 | C113813 |
| A2417259 | Certificate of Analysis | Jan 05, 2024 | C113813 |
| A2417260 | Certificate of Analysis | Jan 05, 2024 | C113813 |
| C2514073 | Certificate of Analysis | Jan 05, 2024 | C113813 |
| D2304482 | Certificate of Analysis | Feb 27, 2023 | C113813 |
| D2306006 | Certificate of Analysis | Feb 27, 2023 | C113813 |
| D2306007 | Certificate of Analysis | Feb 27, 2023 | C113813 |
| D2306010 | Certificate of Analysis | Feb 27, 2023 | C113813 |
| D2306011 | Certificate of Analysis | Feb 27, 2023 | C113813 |
| D2306013 | Certificate of Analysis | Feb 27, 2023 | C113813 |
| L2517075 | Certificate of Analysis | Feb 27, 2023 | C113813 |
| Specific Rotation[α] | -10° (C=5,THF) |
|---|---|
| Melt Point(°C) | 149-151°C |
| Molecular Weight | 490.800 g/mol |
| XLogP3 | 10.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 490.381 Da |
| Monoisotopic Mass | 490.381 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 806.000 |
| 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 |
