Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥95%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C |
|---|---|
| IUPAC Name | 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one |
| InChIKey | FDSDTBUPSURDBL-DKLMTRRASA-N |
| INCHI | 1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+ |
| Isómeros SMILES | CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C |
| Peso molecular | 564.84 |
| Reaxy-Rn | 3124143 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3124143&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 | Prenol lipids |
| Subclass | Tetraterpenoids |
| Intermediate Tree Nodes | Carotenoids |
| Direct Parent | Xanthophylls |
| Alternative Parents | Cyclohexenones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Xanthophyll - Cyclohexenone - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. |
| External Descriptors | C40 isoprenoids (tetraterpenes) |
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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 | Dec 10, 2025 | A299058 | |
| Certificate of Analysis | Dec 10, 2025 | A299058 | |
| Certificate of Analysis | Aug 26, 2025 | A299058 | |
| Certificate of Analysis | Aug 26, 2025 | A299058 | |
| Certificate of Analysis | Aug 26, 2025 | A299058 | |
| Certificate of Analysis | Aug 26, 2025 | A299058 | |
| Certificate of Analysis | Aug 26, 2025 | A299058 | |
| Certificate of Analysis | Jul 02, 2025 | A299058 | |
| Certificate of Analysis | Jan 14, 2025 | A299058 | |
| Certificate of Analysis | Oct 31, 2024 | A299058 |
| Punto de fusión (°C) | 201.6-201.7 °C |
|---|---|
| Peso molecular | 564.800 g/mol |
| XLogP3 | 11.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 564.397 Da |
| Monoisotopic Mass | 564.397 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1270.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 9 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 9 |
| Covalently-Bonded Unit Count | 1 |
| 1. Zi-Xu Zhang, Lu-Wei Xu, Ying-Shuang Xu, Jin Li, Wang Ma, Xiao-Man Sun, He Huang. (2023) Integration of genetic engineering and multi-factor fermentation optimization for co-production of carotenoid and DHA in Schizochytrium sp. BIORESOURCE TECHNOLOGY, [PMID:38154734] [10.1016/j.biortech.2023.130250] |
| 2. Hang-Zhi Zhu, Shan Jiang, Jun-Jie Wu, Xue-Rong Zhou, Peng-Yang Liu, Feng-Hong Huang, Xia Wan. (2022) Production of High Levels of 3S,3′S-Astaxanthin in Yarrowia lipolytica via Iterative Metabolic Engineering. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:35191700] [10.1021/acs.jafc.1c08072] |
| 3. Jiying Zhu, Wei Jia, Jian Peng. (2024) Dissecting the binding effect of Crocetin glucosyltransferase 2 in crocetin biotransformation in saffron (Crocus sativus L.) from different origins. FOOD CHEMISTRY, [PMID:38838622] [10.1016/j.foodchem.2024.139917] |
| 4. Jiayan Du, Youtong Bao, Jingyuan Zhu, Xueqing Pang, Depeng Ren, Xinjian Yin, Pingping Zhou. (2025) Engineering of β-carotene hydroxylase for enhanced astaxanthin production in Saccharomyces cerevisiae. BIOCHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.bej.2025.109722] |
| 5. Weiwei Cheng, Jiahe Xu, Xiaowen Wang, Xinyang Li, Yufeng Chen, Guoqin Liu, Xuxia Zhou, Yuting Ding, Shulai Liu. (2024) Multiple Mechanisms of Haematococcus pluvialis–Derived Carotenoids to Inhibit Glycidyl Ester Formation in Rice Oil and a Chemical Model at High Temperatures. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:39140411] [10.1021/acs.jafc.4c04019] |
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