| Identification | Back Directory | [Name]
(1S,3E)-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 | [CAS]
22350-41-0 | [Synonyms]
5,6-trans-Vitamin D3
Vitamin D3 Injection
Vitamin D3 Impurity 1
Vitamin D3 EP impurity A
Cholecalciferol EP Imp A
5,6-trans-Cholecalciferol
Cholecalciferol impurity A
5,6-trans-Vitamin D3, ~90%
Cholecalciferol EP Impurity A
(S,E)-3-((E)-2-((1R,3aS,7aR)-7a
(E,E)-9,10-Secocholesta-
5,7,10(19)-trien-3β-ol
(3β,5E,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol
(3.beta., 5E,7E)-9,10-Secocholesa-5,7,10[1p]-trien-3-ol
Cholecalciferol Impurity 1（Cholecalciferol EP Impurity A）
Cholecalciferol IMpurity A (5,6-trans-Cholecalciferol, 5,6-trans-VitaMin D3)
Cholecalciferol EP Impurity A (5,6-trans-Cholecalciferol, 5,6-trans-Vitamin D3)
(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-DiMethylhexyl]octahydro-7a-Methyl-4H-inden-4-ylidene]ethylidene]-4-Methylenecyclohexanol
(S,E)-3-((E)-2-((1R,3aS,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)hexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol
Cyclohexanol, 3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3E)-
(1S,3E)-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 | [Molecular Formula]
C27H44O | [MDL Number]
MFCD00078131 | [MOL File]
22350-41-0.mol | [Molecular Weight]
384.64 |
| Chemical Properties | Back Directory | [Boiling point ]
496.4±24.0 °C(Predicted) | [density ]
0.96±0.1 g/cm3(Predicted) | [storage temp. ]
-65 to -96°C | [solubility ]
DMF: 25 mg/ml,DMSO: 3 mg/ml,Ethanol: 30 mg/ml | [form ]
A crystalline solid | [pka]
14.74±0.20(Predicted) | [color ]
White to light yellow | [Stability:]
Light Sensitive, Temperature Sensitive | [InChI]
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13+/t21-,24+,25-,26+,27-/m1/s1 | [InChIKey]
QYSXJUFSXHHAJI-FVUVGDFOSA-N | [SMILES]
[C@H]1(O)CCC(=C)/C(=C/C=C2\CCC[C@@]3(C)[C@@]\2([H])CC[C@@H]3[C@H](C)CCCC(C)C)/C1 |
| Hazard Information | Back Directory | [Chemical Properties]
White to Off-White Solid | [Uses]
5,6-trans-Vitamin D3 is the major photoisomer of Vitamin D3 analog, as an impurity. | [Definition]
ChEBI:5,6-trans-vitamin D3 is a member of the class of D3 vitamins that is calciol in which the double bond at position 5 adopts a trans-configuration. During exposure to sunlight, previtamin D3 and vitamin D3 in the skin become photoisomerized to 5,6-trans-vitamin D3. It has a role as a human metabolite. It is a member of D3 vitamins, a seco-cholestane, a secondary alcohol and a hydroxy seco-steroid. It is functionally related to a calciol. |
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