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Methylene Calcitriol
[CAS# 1428946-52-4]

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Identification
NameMethylene 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 StructureCAS # 1428946-52-4, Methylene Calcitriol
Molecular FormulaC28H44O3
Molecular Weight428.65
CAS Registry Number1428946-52-4
SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C(=C)[C@@H](C3=C)O)O)C
Properties
Density1.1±0.1 g/cm3, Calc.*
Index of Refraction1.550, Calc.*
Boiling Point583.7±50.0 °C (760 mmHg), Calc.*
Flash Point245.6±24.7 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbolssymbol   GHS07 Warning  Details
Risk StatementsH302+H312+H332-H315-H319  Details
Safety StatementsP261-P271-P280-P302+P352-P305+P351+P338  Details
SDSAvailable
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