1,25-Dihydroxy-23-Oxo-Vitamin D3
[CAS# 82095-23-6]

Identification

• Name: 1,25-Dihydroxy-23-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-4-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-4-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-4-One
• Molecular Formula: C₂₇H₄₂O₄
• Molecular Weight: 430.63
• CAS Registry Number: 82095-23-6
• 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](CC(=O)CC(O)(C)C)C)C
• InChI: 1S/C27H42O4/c1-17(13-22(29)16-26(3,4)31)23-10-11-24-19(7-6-12-27(23,24)5)8-9-20-14-21(28)15-25(30)18(20)2/h8-9,17,21,23-25,28,30-31H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21+,23-,24+,25-,27-/m1/s1
• InChIKey: QBJVXMITWJPQNF-QWFDPWQYSA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 598.632°C at 760 mmHg (Cal.)
• Flash point: 329.87°C (Cal.)