1,25-Dihydroxy-24-Oxo-Vitamin D3
[CAS# 76338-50-6]

Identification

• Name: 1,25-Dihydroxy-24-Oxo-Vitamin D3
• Synonyms: (6R)-6-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(3R,5S)-3,5-Dihydroxy-2-Methylene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Hydroxy-2-Methyl-Heptan-3-One; (6R)-6-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(3R,5S)-3,5-Dihydroxy-2-Methylenecyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Hydroxy-2-Methylheptan-3-One; (6R)-6-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(3R,5S)-3,5-Dihydroxy-2-Methylidene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Hydroxy-2-Methyl-Heptan-3-One
• Molecular Formula: C₂₇H₄₂O₄
• Molecular Weight: 430.63
• CAS Registry Number: 76338-50-6
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C([C@H](O)C[C@@H](O)C2)=C)CC[C@@H]3[C@@H](CCC(=O)C(O)(C)C)C)C
• InChI: 1S/C27H42O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-24,28-29,31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21+,22-,23+,24-,27-/m1/s1
• InChIKey: BWFQMABKLLTETH-SNRCVERASA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 590.856°C at 760 mmHg (Cal.)
• Flash point: 325.172°C (Cal.)