Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥92%(HPLC) Moligand™ 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 14 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Digitoxin is a cardiac glycoside (CG). It is a cardiotonic drug, which exhibits cardiac and anti-cancer properties. Digitoxin inhibits nuclear factor kappa B (NF-κB) signaling. It is used to treat congestive heart failure and cardiac arrhythmia. Digitoxin prevents microtubule formation.
Application:
Digitoxin has been used as a labeled drugs for binding sites on human serum albumin (HSA).[5][6] It has also been used to test its anti-transmissible gastroenteritis virus (TGEV) activity.
| Pubchem Sid | 504758748 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758748 |
| Sonrisas canónicas | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O |
| IUPAC Name | 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| InChIKey | WDJUZGPOPHTGOT-XUDUSOBPSA-N |
| INCHI | 1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1 |
| Isómeros SMILES | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O |
| WGK Alemania | 3 |
| RTECS | IH2275000 |
| Número ONU | 2811 |
| Grupo de embalaje | I |
| Peso molecular | 764.94 |
| Beilstein | 76678 |
| Reaxy-Rn | 24717874 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24717874&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 | Steroid lactones |
| Intermediate Tree Nodes | Cardenolides and derivatives |
| Direct Parent | Cardenolide glycosides and derivatives |
| Alternative Parents | Steroidal glycosides Oligosaccharides 14-hydroxysteroids O-glycosyl compounds Oxanes Butenolides Tertiary alcohols Enoate esters Secondary alcohols Cyclic alcohols and derivatives Lactones Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Cardanolide-glycoside - Steroidal glycoside - Oligosaccharide - 14-hydroxysteroid - Hydroxysteroid - Glycosyl compound - O-glycosyl compound - 2-furanone - Oxane - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Lactone - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as cardenolide glycosides and derivatives. These are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety. |
| External Descriptors | Cardanolides and derivatives |
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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 | Jan 20, 2026 | D134419 | |
| Certificate of Analysis | Jan 20, 2026 | D134419 | |
| Certificate of Analysis | Jan 19, 2026 | D134419 | |
| Certificate of Analysis | Dec 10, 2025 | D134419 | |
| Certificate of Analysis | Dec 10, 2025 | D134419 | |
| Certificate of Analysis | Dec 10, 2025 | D134419 | |
| Certificate of Analysis | Dec 10, 2025 | D134419 | |
| Certificate of Analysis | Dec 10, 2025 | D134419 | |
| Certificate of Analysis | Mar 04, 2025 | D134419 | |
| Certificate of Analysis | Feb 07, 2025 | D134419 | |
| Certificate of Analysis | Jan 14, 2025 | D134419 | |
| Certificate of Analysis | Mar 04, 2024 | D134419 | |
| Certificate of Analysis | Mar 04, 2024 | D134419 | |
| Certificate of Analysis | Mar 04, 2024 | D134419 | |
| Certificate of Analysis | Sep 19, 2023 | D134419 | |
| Certificate of Analysis | Sep 19, 2023 | D134419 | |
| Certificate of Analysis | May 12, 2023 | D134419 | |
| Certificate of Analysis | May 12, 2023 | D134419 | |
| Certificate of Analysis | May 12, 2023 | D134419 | |
| Certificate of Analysis | Jun 11, 2022 | D134419 |
| Solubilidad | soluble in chloroform |
|---|---|
| Punto de fusión (°C) | 240 °C (dec.) (lit.) |
| Peso molecular | 764.900 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 7 |
| Exact Mass | 764.435 Da |
| Monoisotopic Mass | 764.435 Da |
| Topological Polar Surface Area | 183.000 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1410.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 20 |
| 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. Jiao Xinyi, Peng Xingru, Jin Xin, Liu Ning, Yu Yang, Liu Rui, Li Zheng. (2023) Nano-composite system of traditional Chinese medicine for ocular applications: molecular docking and three-dimensional modeling insight for intelligent drug evaluation. Drug Delivery and Translational Research, [PMID:37355484] [10.1007/s13346-023-01376-x] |
| 2. Wenxin Li, Shuji Chen, Xu Hong, Mengke Fang, Wansong Zong, Xiaokang Li, Jing Wang. (2022) The molecular interaction of three haloacetic acids with bovine serum albumin and the underlying mechanisms. JOURNAL OF MOLECULAR LIQUIDS, [PMID:] [10.1016/j.molliq.2022.120976] |
| 3. Meiqing Zhu, Xiaohui Pang, Jie Wan, Xiaoping Xu, Xueyu Wei, Rimao Hua, Xiaoying Zhang, Yi Wang, Xiaofan Yang. (2022) Potential toxic effects of sulfonamides antibiotics: Molecular modeling, multiple-spectroscopy techniques and density functional theory calculations. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, [PMID:35987082] [10.1016/j.ecoenv.2022.113979] |
| 4. Hengjun Rao, Wei Qi, Rongxin Su, Zhimin He, Xin Peng. (2020) Mechanistic and conformational studies on the interaction of human serum albumin with rhodamine B by NMR, spectroscopic and molecular modeling methods. JOURNAL OF MOLECULAR LIQUIDS, [PMID:] [10.1016/j.molliq.2020.113889] |
| 5. Shufen Wu, Xiaochan Wang, Yuxin Bao, Chuanying Zhang, Huanhuan Liu, Zhenjing Li, Mianhua Chen, Changlu Wang, Qingbin Guo, Xin Peng. (2020) Molecular insight on the binding of monascin to bovine serum albumin (BSA) and its effect on antioxidant characteristics of monascin. FOOD CHEMISTRY, [PMID:31991257] [10.1016/j.foodchem.2020.126228] |
| 6. Xin Peng, Xiangchao Wang, Wei Qi, Rongxin Su, Zhimin He. (2015) Affinity of rosmarinic acid to human serum albumin and its effect on protein conformation stability. FOOD CHEMISTRY, [PMID:26304336] [10.1016/j.foodchem.2015.06.109] |
| 7. Xin Peng, Xiangchao Wang, Wei Qi, Renliang Huang, Rongxin Su, Zhimin He. (2015) Deciphering the binding patterns and conformation changes upon the bovine serum albumin–rosmarinic acid complex. Food & Function, 6 (8): (2712-2726). [PMID:26146359] [10.1039/C5FO00597C] |
| 8. Xin Peng, Wei Qi, Renliang Huang, Rongxin Su, Zhimin He. (2015) Elucidating the Influence of Gold Nanoparticles on the Binding of Salvianolic Acid B and Rosmarinic Acid to Bovine Serum Albumin. PLoS One, 10 (4): (e0118274). [PMID:25861047] [10.1371/journal.pone.0118274] |
| 9. Peng Xin, Sun Yinhe, Qi Wei, Su Rongxin, He Zhimin. (2014) Study of the Interaction Between Coenzyme Q10 and Human Serum Albumin: Spectroscopic Approach. JOURNAL OF SOLUTION CHEMISTRY, 43 (3): (585-607). [PMID:] [10.1007/s10953-014-0146-7] |
| 10. Xiao-Lin Xie, Zhao Zhang, Wen Xiong, Jie Wang, Wei Gong, Wen Xu, Shuang Cai, Jing Li. (2024) Fluorescent sensing of rutin by carbon dots derived from the heart of cumin seeds. Arabian Journal of Chemistry, [PMID:] [10.1016/j.arabjc.2024.105888] |
| 11. Wu Huaxin, Huang Ting, Zhang Wei, Yao Huan, Li Xueyao, Su Ping, Yang Yi. (2025) Purity determination of digitoxin by two-signal suppression–internal standard correction–high-performance liquid chromatography–quantitative nuclear magnetic resonance. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, [PMID:40119928] [10.1007/s00216-025-05836-w] |
| 12. Huilin Liu, Chao Huang, Zhenni Liu, Yuhan Li, Yanan Zhu, Min Gao, Jing Chen, Hui Zhang, Zhengtao Xiao, Wei Zhao. (2024) Systematic drug screening and target analysis identify digitoxin as a potential therapy for uveal melanoma. BRITISH JOURNAL OF PHARMACOLOGY, [PMID:39617007] [10.1111/bph.17405] |
| 13. Junqiao Zhou, Jiayin Li, Cong Cheng, YuJuan Yao, Yu Li, Hao Liu, Laiyan Wu. (2024) Unraveling the binding behavior of the antifouling biocide 4,5-dichloro-2-n-octyl-4-isothiazolin-3-one with human serum albumin: Multi-spectroscopic, atomic force microscope, computational simulation, and esterase activity. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:38906347] [10.1016/j.ijbiomac.2024.133266] |
| 14. Huan Yao, Ting Huang, Zhifang Li, Huaxin Wu, Xueyao Li, Hua Tang, Fuhai Su, Xinliang Jin, Wei Zhang. (2025) Coupling Supercritical Fluid Chromatography with Internal Standard Corrected Quantitative NMR for Rapid and Accurate Purity Assessment. ANALYTICAL CHEMISTRY, [PMID:40657954] [10.1021/acs.analchem.5c01664] |
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