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5-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CAS number：73837-24-8 molecular formula：C27H44O3
overview
Specs
| Chinese alias | 骨化三醇杂质 A | ||
| English alias | CAS-32222-06-3 | (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | 1alpha,25-Dihydroxy-5,6-trans-vitamin D3 | trans-Calcitriol | 5, | ||
| CAS number | 73837-24-8 | molecular formula | C27H44O3 |
| molecular weight | 416.6 | Exact mass | ≥95% |
| PSA | 60.7 | logp | 5.1 |
numbering system
| CAS | 73837-24-8 |
| HMDB ID | HMDB0242363 |
| Wikidata | Q27216044 |
| PubChem CID | 2524 |
physicochemical properties
| XLogP3 | XLogP3-AA: 5.1 |
| 复杂性 | 688 |
| Exact Mass | 416.32904526 |
| 形式电荷 | 0 |
| 重原子计数 | 30 |
| Molecular Weight | 416.6 |
| Monoisotopic Mass | 416.32904526 |
| 可旋转键计数 | 6 |
| 氢键供体计数 | 3 |
| 氢键受体计数 | 3 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 60.7 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 2 |
| 未定义原子手性中心计数 | 6 |
Safety information
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Production methods and uses
purpose
工业应用参考：
工业分类参考：化学纤维制造业。
应用场景参考：在环境监测、水资源分析、矿产检测、农残筛查和大气污染研究等方向具备潜在应用空间 。
作用参考：可用于改善产品性能、稳定性或使用体验，在配方优化和质量提升中具备辅助价值 。
选型提示：精细化学品的稳定性不仅取决于材料本身，也与生产流程、仓储物流、追溯能力和管理水平密切相关 。
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MSDS
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