Cholecalciferol (CAS 67-97-0) — formula C27H44O, molecular weight 384.6.
Cholecalciferol is a chemical compound with CAS registry number 67-97-0 and molecular formula C27H44O (molecular weight 384.6).
CAS number: 67-97-0
Its molecular formula C27H44O comprises 27 C, 44 H, 1 O atoms.
Also known as: Cholecalciferol · Vitamin D3 · Vitamin D3 oil
The CAS registry number of Cholecalciferol is 67-97-0.
Molecular formula C27H44O, molecular weight 384.6.
It is also registered under: Cholecalciferol, Vitamin D3, Vitamin D3 oil.
Public-database records for Cholecalciferol (CAS 67-97-0), reproduced here for independent cross-checking.
| 已通报的危害声明 | H300, H310, H330, H372, H301 (85.8%), H311 (87.3%), H360 |
|---|
| 法规与食品接触 | FDA Substance added to food: NUTRIENT SUPPLEMENT |
|---|
| 熔点 | 183 to 185 °F (NTP, 1992) |
|---|---|
| 熔点 | 84.5 |
| 熔点 | 84-85 °C |
| 熔点 | 84.5 °C |
| LogP | 7.5 |
| LogP | 10.24 |
| CAS 号 | 67-97-0 |
|---|---|
| PubChem CID | 5280795 |
| 分子式 | C27H44O |
| IUPAC 名称 | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
| UNII（FDA） | 1C6V77QF41 |
Vitamin D3; cholecalciferol; 67-97-0; Colecalciferol; Calciol; Oleovitamin D3; Ricketon; Arachitol; Deparal; Trivitan; Vigorsan; Delsterol; Ebivit; D3-Vigantol; vitamin d-3; Colecalcipherol
| 分子量 | 384.6 |
|---|---|
| XLogP3 | 7.9 |
| 氢键供体数 | 1 |
| 氢键受体数 | 1 |
| 可旋转键数 | 6 |
| 精确质量 | 384.339216023 |
| 单同位素质量 | 384.339216023 |
| 拓扑极性表面积 | 20.2 |
| 重原子数 | 28 |
| 形式电荷 | 0 |
维生素 D3 油·CAS 67-97-0·C27H44O。 UNII 1C6V77QF41。熔点：183 至 185 °F（NTP，1992）；熔点：84.5；熔点：84-85°C。
Source: PubChem / Wikidata; the batch COA governs where values differ.
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