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ChemicalBook--->CAS DataBase List--->113082-99-8

113082-99-8

113082-99-8 Structure

113082-99-8 Structure
IdentificationBack Directory
[Name]

(5E)-Calcipotriene
[CAS]

113082-99-8
[Synonyms]

PRI 2205
(5E)-Calcipotriene
trans-Calcipotriol
5,6-trans-Calcipotriol
(1α,3β,5E,7E,22E,24S)-2
Calcipotriol Impurity C
Calcipotriol Impurity C ((5E)-Calcipotriene)
Calcipotriol EP Impurity C: (5E)-calcipotriol
Calcipotriol EP Impurity C ((5E)-Calcipotriene)
Calcipotriol EP Impurity C/5,6-trans-Calcipotriol
Calcipotriol Impurity 3(Calcipotriol EP Impurity C)
Calcipotriol EP Impurity C/5,6-trans-Calcipotriol/(5E)-Calcipotriene
(1alpha,3beta,5E,7E,22E,24S)-24-Cyclopropyl-9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol
Calcipotriene Related Compound C ((5E,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol)
(1S,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-Cyclopropyl-4-hydroxy-1-Methyl-2-buten-1-yl]octahydro-7a-Methyl-4H-inden-4-ylidene]ethylidene]-4-Methylene-1,3-cyclohexanediol
(1R,3S,E)-5-((E)-2-((1R,3aR,7aR)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-Methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-Methylenecyclohexane-1,3-diol
1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3S,5E)-
[Molecular Formula]

C27H40O3
[MOL File]

113082-99-8.mol
[Molecular Weight]

412.6
Chemical PropertiesBack Directory
[Boiling point ]

582.0±50.0 °C(Predicted)
[density ]

1.12
[storage temp. ]

4°C, protect from light, stored under nitrogen
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

14.29±0.20(Predicted)
[color ]

White to Off-White
[Stability:]

Light Sensitive, Temperature Sensitive
Safety DataBack Directory
[Symbol(GHS) ]


GHS06
[Signal word ]

Danger
[Hazard statements ]

H300
[Precautionary statements ]

P264-P301+P310
[HS Code ]

2906195000
Hazard InformationBack Directory
[Chemical Properties]

White to Off-White Solid
[Uses]

The trans-isomeric impurity of Calcipotriene (C144200) and a vitamin D3 analogue with antitumor effects.
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