Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Norethindrone acetate is a female hormone used for the research of endometriosis . Norethindrone acetate is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
| ALogP | 3.5 |
|---|
| Pubchem Sid | 528776009 |
|---|---|
| Kanonisches Lächeln | CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)C#C |
| IUPAC Name | [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate |
| InChIKey | IMONTRJLAWHYGT-ZCPXKWAGSA-N |
| INCHI | 1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1 |
| Isomere SMILES | CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C#C |
| Molekulargewicht | 340.46 |
| Reaxy-Rn | 25334992 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25334992&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 |
| Klasse | Steroids and steroid derivatives |
| Subclass | Steroid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Steroid esters |
| Alternative Parents | Estrogens and derivatives 3-oxo delta-4-steroids Delta-4-steroids Cyclohexenones Ynones Carboxylic acid esters Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Steroid ester - Estrogen-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Estrane-skeleton - Oxosteroid - Delta-4-steroid - Cyclohexenone - Ynone - Carboxylic acid ester - Cyclic ketone - Ketone - Acetylide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic homopolycyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group. |
| External Descriptors | terminal acetylenic compound - acetate ester - 3-oxo Delta(4)-steroid |
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| Löslichkeit | DMSO : ≥ 100 mg/mL (293.72 mM) |
|---|---|
| Schmelzpunkt (°C) | 160.0 to 165.0 °C |
| Molekulargewicht | 340.500 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 340.204 Da |
| Monoisotopic Mass | 340.204 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 695.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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. Qianyu Li, Guoliang Li, Lihua Fan, Yanxin Yu, Jin Liu. (2021) Click reaction triggered turn-on fluorescence strategy for highly sensitive and selective determination of steroid hormones in food samples. FOOD CHEMISTRY, [PMID:34875430] [10.1016/j.foodchem.2021.131565] |
| 2. Xu Jiaqi, Li Qianyu, Li Wenrui, Wu Di, Wu Yongning, Li Guoliang. (2025) Efficient adsorption and detection of steroid hormones in foods through the combination of novel magnetic TAPB-COF materials with click isotope probes. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, [PMID:39820674] [10.1007/s00216-024-05727-6] |
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