9,10-secoergosta-5(Z),7(E),10(19)-trien-3β-ol (CAS 511-28-4) — formula C28H46O, molecular weight 398.7; category organic chemicals.
9,10-secoergosta-5(Z),7(E),10(19)-trien-3β-ol is a carbon-based organic compound with CAS registry number 511-28-4 and molecular formula C28H46O (molecular weight 398.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 511-28-4
Its molecular formula C28H46O comprises 28 C, 46 H, 1 O atoms.
Also known as: 9,10-secoergosta-5(Z),7(E),10(19)-trien-3β-ol · Vitamin d3 powder
Category: organic chemicals
The CAS registry number of 9,10-secoergosta-5(Z),7(E),10(19)-trien-3β-ol is 511-28-4.
Molecular formula C28H46O, molecular weight 398.7.
It is also registered under: 9,10-secoergosta-5(Z),7(E),10(19)-trien-3β-ol, Vitamin d3 powder.
Category: Organic Chemicals.
Public-database records for 9,10-secoergosta-5(Z),7(E),10(19)-trien-3β-ol (CAS 511-28-4), reproduced here for independent cross-checking.
| Reported hazard statements | H301 (100%), H311 (100%), H330 (100%), H372 (100%) |
|---|
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
| CAS Registry Number | 511-28-4 |
|---|---|
| PubChem CID | 5460703 |
| 分子式 | C28H46O |
| IUPAC 名称 | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
| UNII（FDA） | KN41X73N6C |
Vitamin D4; 511-28-4; 22,23-dihydroergocalciferol; 24S-Methylcalciol; 22,23-dihydroercalciol; 22,23-Dihydrovitamin D2; UNII-KN41X73N6C; KN41X73N6C; EINECS 208-127-5; (24S)-methylcalciol; VITAMIN D4 [MI]; VITAMIN D4 (VD4); CHEBI:33237; (3S)-9,10-seco-5Z,7E,10(19)-ergostatrien-3-ol; 9,10-Secocholesta-5,7,10(9)-trien-3-ol, 24-methyl-; ERGOCALCIFEROL, 22,23-DIHYDRO-
| 分子量 | 398.7 |
|---|---|
| XLogP3 | 8.2 |
| 氢键供体数 | 1 |
| 氢键受体数 | 1 |
| 可旋转键数 | 6 |
| 精确质量 | 398.354866087 |
| 单同位素质量 | 398.354866087 |
| 拓扑极性表面积 | 20.2 |
| 重原子数 | 29 |
| 形式电荷 | 0 |
9,10-secoergosta-5(Z),7(E),10(19)-trien-3β-ol · CAS 511-28-4 · C28H46O. UNII KN41X73N6C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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