Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, analytical standard 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C |
|---|---|
| IUPAC Name | (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one |
| InChIKey | AZSNMRSAGSSBNP-XPNPUAGNSA-N |
| INCHI | 1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 |
| Isomeric SMILES | CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C |
| WGK Germany | 3 |
| Molecular Weight | 875.09 |
| Reaxy-Rn | 29304044 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29304044&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 | Phenylpropanoids and polyketides |
| Class | Macrolides and analogues |
| Subclass | Milbemycins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Milbemycins |
| Alternative Parents | O-glycosyl compounds Disaccharides Ketals Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Milbemycin - Disaccharide - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organooxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as milbemycins. These are a group of macrolides with a structure containing a 16-membered lactone ring fused to a 1,7-dioxaspiroundecane ring system and to either a benzofuran (or hydrogenated derivative thereof). In some cases (e.g. Milbemycin E), the tetrahydrofuranyl ring is missing. Milbemycins can be o-glycosylated at C13 to form Avermectins. Milbemycins are produced by Streptomyces species. |
| External Descriptors | macrocyclic lactone |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | May 08, 2023 | I114320 |
| Molecular Weight | 875.100 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 8 |
| Exact Mass | 874.508 Da |
| Monoisotopic Mass | 874.508 Da |
| Topological Polar Surface Area | 170.000 Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1680.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 20 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 3 |
| Covalently-Bonded Unit Count | 1 |
| 1. Song Lianjun, Wang Youyi, Li Qingyue, Wang Jinkui, Gao Tian, An Zhaohuan, Liu Qinfang, Mao Yexuan, Bu Tong, Huang Xianqing, Ma Yan, Wang Zhanhui, Zhang Xiya. (2023) Production of monoclonal antibody against tylosin and tilmicosin with homogeneous cross-reactivity and its application in lateral flow immunoassay. MICROCHIMICA ACTA, 191 (1): (1-12). [PMID:38114730] [10.1007/s00604-023-06132-z] |
| 2. Chen Jing, Huang Shuting, Li Huawen, Li Yun, Zeng Haishan, Hu Jiemei, Lin Yanchun, Cai Huihua, Deng Pengfei, Song Ting, Guan Tian, Zeng Haoyu, Liu Mubiao. (2022) STAT3 inhibitor BBI608 reduces patient-specific primary cell viability of cervical and endometrial cancer at a clinical-relevant concentration. Clinical & Translational Oncology, 25 (3): (662-672). [PMID:36422798] [10.1007/s12094-022-02970-0] |
| 3. Gu Yu-Xin, Yan Tian-Ci, Yue Zi-Xuan, Li Min-Hui, Zheng Hui, Wang Shu-Ling, Cao Jun. (2022) Dispersive Micro-solid-Phase Extraction of Acaricides from Fruit Juice and Functional Food Using Cucurbituril as Sorbent. Food Analytical Methods, 15 (5): (1356-1367). [PMID:] [10.1007/s12161-021-02209-8] |
| 4. Guanqiong Na, Xiaofei Hu, Yaning Sun, Sharon Kwee, Guangxu Xing, Yunrui Xing, Gaiping Zhang. (2020) A highly sensitive monoclonal antibody−based paper sensor for simultaneously detecting valnemulin and tiamulin in porcine liver. JOURNAL OF FOOD SCIENCE, 85 (6): (1681-1688). [PMID:32418205] [10.1111/1750-3841.15136] |
| 5. Ding Ke, Tian Hailong, Li Lei, Wang Zhihan, Liu Shanshan, Ding Ning, Nice Edouard C., Huang Canhua, Bao Jinku, Gao Wei, Shi Zheng. (2024) Drug repurposing-based nanoplatform via modulating autophagy to enhance chemo-phototherapy against colorectal cancer. JOURNAL OF NANOBIOTECHNOLOGY, 22 (1): (1-15). [PMID:38658952] [10.1186/s12951-024-02416-5] |
| 6. Jiawen Ji, Siyue Zhu, Xinping Hu, Jianhui Zhu, Sen Pang, Yongqiang Ma, Xuefeng Li. (2025) Enhanced residual risk of abamectin induced by 6PPD: in water, soil, and vegetables. Environmental Science-Processes & Impacts, [PMID:40099488] [10.1039/D5EM00053J] |
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