23,25-Dihydroxy-24-Oxovitamin D3
[CAS# 84164-55-6]

Identification

• Name: 23,25-Dihydroxy-24-Oxovitamin D3
• Synonyms: (6R)-6-[(1R,4E,7Ar)-4-[(2Z)-2-[(5S)-5-Hydroxy-2-Methylene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2,4-Dihydroxy-2-Methyl-Heptan-3-One; (6R)-6-[(1R,4E,7Ar)-4-[(2Z)-2-[(5S)-5-Hydroxy-2-Methylenecyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2,4-Dihydroxy-2-Methylheptan-3-One; (6R)-6-[(1R,4E,7Ar)-4-[(2Z)-2-[(5S)-5-Hydroxy-2-Methylidene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2,4-Dihydroxy-2-Methyl-Heptan-3-One
• Molecular Formula: C₂₇H₄₂O₄
• Molecular Weight: 430.63
• CAS Registry Number: 84164-55-6
• SMILES: [C@]12([C@@H]([C@@H](CC(O)C(=O)C(O)(C)C)C)CCC1C(/CCC2)=C/C=C/3C(CC[C@H](O)C3)=C)C
• InChI: 1S/C27H42O4/c1-17-8-11-21(28)16-20(17)10-9-19-7-6-14-27(5)22(12-13-23(19)27)18(2)15-24(29)25(30)26(3,4)31/h9-10,18,21-24,28-29,31H,1,6-8,11-16H2,2-5H3/b19-9+,20-10-/t18-,21+,22-,23?,24?,27-/m1/s1
• InChIKey: LYVJVKJTSXESPC-SLOLHKEZSA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 584.245°C at 760 mmHg (Cal.)
• Flash point: 321.179°C (Cal.)