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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C\C(C)=C/CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@H](C[C@@]23C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O |
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| IUPAC Name | (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChIKey | RAQNTCRNSXYLAH-RFCGZQMISA-N |
| INCHI | 1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1 |
| Isomeric SMILES | CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)C |
| Molecular Weight | 638.87 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Molecular Weight | 638.900 g/mol |
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| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 638.439 Da |
| Monoisotopic Mass | 638.439 Da |
| Topological Polar Surface Area | 160.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1110.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 16 |
| 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. Yingjie Lu, Yuqi Cao, Danqing Chen, Yaobin Zhou, Li Zhang, Yue Su, Yinlong Guo. (2022) An online derivatization strategy targeting carbon–carbon double bonds by laser-ablation carbon fiber ionization mass spectrometry imaging: Unraveling the spatial characteristic in mountain-cultivated ginseng and garden-cultivated ginseng with different ages. FOOD CHEMISTRY, [PMID:36608558] [10.1016/j.foodchem.2022.135365] |
| 2. Chen Yigang, Ji Xiang, Zhang Ziyue, Zhu Zihao, Zhou Yuming, Su Chang, Lin Yang-Chi-Dung, Huang Hsi-Yuan, Wei Kangping, Lai Yi, Chen Ke, Lin Xingqiao, Zhang Yangyi, Fu Jiehui, Huang Yixian, Cui Shidong, Yen Shih-Chung, Zhang Tao, Warshel Arieh, Huang Hsien-Da. (2025) Semi-inductive dataset construction and framework optimization for practical drug target interaction prediction with ScopeDTI. Nature Communications, 16 (1): (11509). [PMID:41390462] [10.1038/s41467-025-66311-9] |
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