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Calcipotriol Impurity 4
[CAS# 126860-84-2]

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Identification
Name Calcipotriol Impurity 4
Synonyms (4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpentan-1-one
Molecular Structure CAS # 126860-84-2, Calcipotriol Impurity 4, (4R)-4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpentan-1-one
Molecular Formula C27H40O3
Molecular Weight 412.60
CAS Registry Number 126860-84-2
SMILES C[C@H](CCC(=O)C1CC1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C
Properties
Density 1.1±0.1 g/cm3, Calc.*
Index of Refraction 1.562, Calc.*
Boiling Point 574.2±50.0 ºC (760 mmHg), Calc.*
Flash Point 315.1±26.6 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302+H312+H332-H315-H319    Details
Precautionary Statements P261-P271-P280-P302+P352-P305+P351+P338    Details
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