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Methylene Calcitriol
[CAS# 1428946-52-4]

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Identification
Name Methylene Calcitriol
Synonyms (1R,3R,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2,4-dimethylenecyclohexane-1,3-diol
Molecular Structure CAS # 1428946-52-4, Methylene Calcitriol, (1R,3R,Z)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-Hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2,4-dimethylenecyclohexane-1,3-diol
Molecular Formula C28H44O3
Molecular Weight 428.65
CAS Registry Number 1428946-52-4
SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C(=C)[C@@H](C3=C)O)O)C
Properties
Density 1.1±0.1 g/cm3, Calc.*
Index of Refraction 1.550, Calc.*
Boiling Point 583.7±50.0 ºC (760 mmHg), Calc.*
Flash Point 245.6±24.7 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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