1,25-Dihydroxyergocalciferol
[CAS# 55248-15-2]

Identification

• Name: 1,25-Dihydroxyergocalciferol
• Synonyms: (1R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(E,1R,4S)-5-Hydroxy-1,4,5-Trimethyl-Hex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(E,1R,4S)-5-Hydroxy-1,4,5-Trimethylhex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(E,2R,5S)-6-Hydroxy-5,6-Dimethyl-Hept-3-En-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₈H₄₄O₃
• Molecular Weight: 428.65
• CAS Registry Number: 55248-15-2
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(C(O)C[C@H](O)C2)=C)CC[C@@H]3[C@@H](\C=C\[C@@H](C(O)(C)C)C)C)C
• InChI: 1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26?,28-/m1/s1
• InChIKey: ZGLHBRQAEXKACO-ZUDASBLMSA-N

Properties

• Density: 1.066g/cm³ (Cal.)
• Boiling point: 577.655°C at 760 mmHg (Cal.)
• Flash point: 242.511°C (Cal.)