Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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 16 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34 |
|---|---|
| IUPAC Name | (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one |
| InChIKey | WWYNJERNGUHSAO-XUDSTZEESA-N |
| INCHI | 1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1 |
| Isómeros SMILES | CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 |
| WGK Alemania | 3 |
| RTECS | JF8259000 |
| Peso molecular | 312.45 |
| Reaxy-Rn | 24733492 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24733492&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 | Estrane steroids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Estrogens and derivatives |
| Alternative Parents | 3-oxo delta-4-steroids 17-hydroxysteroids Delta-4-steroids Cyclohexenones Ynones Tertiary alcohols Cyclic alcohols and derivatives Acetylides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Estrogen-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Ynone - Cyclic alcohol - Tertiary alcohol - Cyclic ketone - Ketone - Acetylide - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Organooxygen compound - Aliphatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. |
| External Descriptors | C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives |
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| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 31.25, Max Conc. mM: 100 |
|---|---|
| Sensibilidad | heat sensitive |
| Rotación específica [α] | [α]D:-34~-31° (C=1,CHCl3) |
| Punto de fusión (°C) | 236℃ |
| Peso molecular | 312.400 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 312.209 Da |
| Monoisotopic Mass | 312.209 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 609.000 |
| 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. Qiuye Jin, Qiong Duan, Dingyu Ji, Jie Chang, Zhaomin Tang. (2023) Reaction mechanism, degradation pathway and toxicity assessment of NH4+ enhanced potassium ferrate removal of levofloxacin. PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, [PMID:] [10.1016/j.psep.2023.10.037] |
| 2. Guangli Li, Xuan Wan, Yonghui Xia, Du Tuo, Xiaoman Qi, Tianyu Wang, Mohammad Mehmandoust, Nevin Erk, Quanguo He, Qing Li. (2023) Lamellar α-Zirconium Phosphate Nanoparticles Supported on N-Doped Graphene Nanosheets as Electrocatalysts for the Detection of Levofloxacin. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.3c03162] |
| 3. Tingting Li, Guoqiang Guo, Haoming Xing, Siyuan Tang, Houwen Hu, Linfan Wang, Xiaoqing Qian, Da Chen. (2023) Construction of fluorescent sensor array and three-dimensional microfluidic paper based analytical device for specific identification and visual determination of antibiotics in food. FOOD CHEMISTRY, [PMID:37499515] [10.1016/j.foodchem.2023.136947] |
| 4. Donghui Wang, Yu-e Shi, Zhen Zhang, Song Shen, Zhenguang Wang. (2022) Modulating Emission of Organic Emitters from Fluorescence to Red Afterglow through Boric Acid-Assisted Energy Transfer. Journal of Physical Chemistry C, [PMID:] [10.1021/acs.jpcc.2c07138] |
| 5. Anhua Jiang, Xinwen Huang, Geshan Zhang, Wanquan Yang. (2022) A Study of the Degradation of LEV by Transparent PVA/NCD-TiO2 Nanocomposite Films with Enhanced Visible-Light Photocatalytic Activity. Catalysts, 12 (11): (1336). [PMID:] [10.3390/catal12111336] |
| 6. Qinyue Wu, Yan Zhang, He Liu, Hongbo Liu, Jia Tao, Min-Hua Cui, Zhiyong Zheng, Donghui Wen, Xinmin Zhan. (2022) FexN produced in pharmaceutical sludge biochar by endogenous Fe and exogenous N doping to enhance peroxymonosulfate activation for levofloxacin degradation. WATER RESEARCH, [PMID:36099758] [10.1016/j.watres.2022.119022] |
| 7. Xiang-Yu Zheng, Hai-Chen Zhang, Yu-Dan Lv, Feng-Yan Jin, Xiu-Juan Wu, Jie Zhu, Yang Ruan. (2022) Levetiracetam alleviates cognitive decline in Alzheimer's disease animal model by ameliorating the dysfunction of the neuronal network.. Frontiers in Aging Neuroscience, [PMID:36092803] [10.3389/fnagi.2022.888784] |
| 8. Yichen Zhang, Shugui Hua, Xiaoqin Sun, Zhuoyue Liu, Yuan Dang, Liang Zhang, Yuanzhen Zhou. (2021) A novel electrochemical cathode based on sea urchin-like NiO/Co3O4 composite inducing efficient Fenton-like process for levofloxacin degradation. APPLIED CATALYSIS A-GENERAL, [PMID:] [10.1016/j.apcata.2021.118403] |
| 9. Yafeng Jin, Guangri Xu, Xiaobo Li, Jingjing Ma, Li Yang, Yuanchao Li, Huan Zhang, Zhen Zhang, Donghao Yao, Donghao Li. (2020) Fast cathodic reduction electrodeposition of a binder-free cobalt-doped Ni-MOF film for directly sensing of levofloxacin. JOURNAL OF ALLOYS AND COMPOUNDS, [PMID:] [10.1016/j.jallcom.2020.156823] |
| 10. Huikai Shao, Haibo Zhou, Tingting Zhang, Xianglong Zhao, Zhengjin Jiang, Qiqin Wang. (2018) Preparation of molecularly imprinted hybrid monoliths for the selective detection of fluoroquinolones in infant formula powders. JOURNAL OF CHROMATOGRAPHY A, [PMID:30587346] [10.1016/j.chroma.2018.12.038] |
| 11. Liu Chaoqiao, Xie Dong, Liu Peng, Xie Shilei, Wang Shoushan, Cheng Faliang, Zhang Min, Wang Lishi. (2018) Voltammetric determination of levofloxacin using silver nanoparticles deposited on a thin nickel oxide porous film. MICROCHIMICA ACTA, 186 (1): (1-10). [PMID:30554349] [10.1007/s00604-018-3146-2] |
| 12. Sun Yao, Duan Runbin, Li Yuzhen, Lu Xinyu, Gao Jiangqi, Zhu Bingzi. (2025) Adsorption kinetics of three fluoroquinolone carboxylic acids on red clay soil in five types of aqueous solutions. AQUA-Water Infrastructure Ecosystems and Society, 74 (2): (159-174). [PMID:] [10.2166/aqua.2025.238] |
| 13. Gege Cheng, Fajian Zeng, Xiuyu Liu, Qiuni Yang, Shizhen Wei, Qin Huang. (2025) Mussel-inspired adhesive and tough hydrogel for drug release based on lignin-containing cellulose nanofiber. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:40010454] [10.1016/j.ijbiomac.2025.141458] |
| 14. Fang Zhao, Zhao Yang, Yifan Xiao, Ganghua Han, Kim R. Hardie, Mark Bartlam, Yingying Wang. (2025) Enantioselective interactions of silver nanoparticles and chiral antibiotics in driving resistance evolution in activated sludge. WATER RESEARCH, [PMID:41038122] [10.1016/j.watres.2025.124656] |
| 15. Mingyao Yuan, Yefan Wu, Zhilin Li, Zhenxing Zeng, Hong Peng, Hong Xiao, Xiaohui Lu, Yanzong Zhang, Shihuai Deng, Guochun Lv, Xiaojing Wang. (2025) Comparably effective elimination of several antibiotics from water: Elastic complementarity between radical and non-radical active species in catalytic systems. CHEMICAL ENGINEERING SCIENCE, [PMID:] [10.1016/j.ces.2025.122586] |
| 16. 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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