Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, analytical standard, ≥98% Analytical standard,Moligand™ 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 35 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 4.3 |
|---|
| Sonrisas canónicas | CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C |
|---|---|
| IUPAC Name | [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate |
| InChIKey | PCZOHLXUXFIOCF-BXMDZJJMSA-N |
| INCHI | 1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 |
| Isómeros SMILES | CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C |
| WGK Alemania | 3 |
| RTECS | EK7907000 |
| Peso molecular | 404.54 |
| Reaxy-Rn | 14572691 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14572691&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 | Organoheterocyclic compounds |
| Clase | Lactones |
| Subclass | Delta valerolactones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Delta valerolactones |
| Alternative Parents | Fatty acid esters Oxanes Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Delta valerolactone - Fatty acid ester - Delta_valerolactone - Dicarboxylic acid or derivatives - Oxane - Fatty acyl - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. |
| External Descriptors | polyketide - fatty acid ester - delta-lactone - carbobicyclic compound - statin (naturally occurring) |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Apr 15, 2026 | L107708 |
| Rotación específica [α] | 320 ° (C=0.5, CH3CN) |
|---|---|
| Punto de fusión (°C) | 175°C |
| Peso molecular | 404.500 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 404.256 Da |
| Monoisotopic Mass | 404.256 Da |
| Topological Polar Surface Area | 72.800 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 666.000 |
| 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 |
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