1,25-Dihydroxy-26,27-Dimethylcholecalciferol
[CAS# 97473-92-2]

Identification

• Name: 1,25-Dihydroxy-26,27-Dimethylcholecalciferol
• Synonyms: (1R,3S,5E)-5-[(2E)-2-[(1R,3As,7As)-1-[(1R)-5-Ethyl-5-Hydroxy-1-Methyl-Heptyl]-7A-Methyl-2,3,3A,4,6,7-Hexahydro-1H-Inden-5-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,3S,5E)-5-[(2E)-2-[(1R,3As,7As)-1-[(1R)-5-Ethyl-5-Hydroxy-1-Methylheptyl]-7A-
• Molecular Formula: C₂₉H₄₈O₃
• Molecular Weight: 444.70
• CAS Registry Number: 97473-92-2
• SMILES: [C@]13([C@H](C\C(CC1)=C\C=C/2C([C@@H](O)C[C@H](O)C2)=C)CC[C@@H]3[C@@H](CCCC(O)(CC)CC)C)C
• InChI: 1S/C29H48O3/c1-6-29(32,7-2)15-8-9-20(3)26-13-12-24-17-22(14-16-28(24,26)5)10-11-23-18-25(30)19-27(31)21(23)4/h10-11,20,24-27,30-32H,4,6-9,12-19H2,1-3,5H3/b22-10+,23-11+/t20-,24+,25-,26-,27+,28+/m1/s1
• InChIKey: ZLKMSKKHWMDUMM-LVQYYSSUSA-N

Properties

• Density: 1.048g/cm³ (Cal.)
• Boiling point: 586.175°C at 760 mmHg (Cal.)
• Flash point: 242.433°C (Cal.)