1,25-Dihydroxy-26,27-Dipropylcholecalciferol
[CAS# 106372-51-4]

Identification

• Name: 1,25-Dihydroxy-26,27-Dipropylcholecalciferol
• Synonyms: (5E)-5-[(2E)-2-[1-(5-Hydroxy-1-Methyl-5-Propyl-Octyl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (5E)-5-[(2E)-2-[1-(5-Hydroxy-1-Methyl-5-Propyloctyl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (5E)-5-[(2E)-2-[1-(6-Hydroxy-6-Propyl-Nonan-2-Yl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₃₁H₅₂O₃
• Molecular Weight: 472.75
• CAS Registry Number: 106372-51-4
• SMILES: C(C(C3C1(C(C(/CCC1)=C/C=C\2C(C(O)CC(O)C2)=C)CC3)C)C)CCC(O)(CCC)CCC
• InChI: 1S/C31H52O3/c1-6-16-31(34,17-7-2)19-8-10-22(3)27-14-15-28-24(11-9-18-30(27,28)5)12-13-25-20-26(32)21-29(33)23(25)4/h12-13,22,26-29,32-34H,4,6-11,14-21H2,1-3,5H3/b24-12+,25-13+
• InChIKey: RKYCSEUXODRKTL-DWGHPKEWSA-N

Properties

• Density: 1.036g/cm³ (Cal.)
• Boiling point: 606.992°C at 760 mmHg (Cal.)
• Flash point: 246.132°C (Cal.)