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ChemicalBook--->CAS DataBase List--->22350-41-0

22350-41-0

22350-41-0 Structure

22350-41-0 Structure
IdentificationBack 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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H312-H319-H302-H332-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack 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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