1,25,26-Trihydroxy-23-Oxo-Vitamin D3
[CAS# 82095-24-7]

Identification

• Name: 1,25,26-Trihydroxy-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]-1,2-Dihydroxy-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]-1,2-Dihydroxy-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]-1,2-Dihydroxy-2-Methyl-Heptan-4-One
• Molecular Formula: C₂₇H₄₂O₅
• Molecular Weight: 446.63
• CAS Registry Number: 82095-24-7
• 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)(CO)C)C)C
• InChI: 1S/C27H42O5/c1-17(12-22(30)15-26(3,32)16-28)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-13-21(29)14-25(31)18(20)2/h7-8,17,21,23-25,28-29,31-32H,2,5-6,9-16H2,1,3-4H3/b19-7+,20-8-/t17-,21+,23-,24+,25-,26?,27-/m1/s1
• InChIKey: UJVUXWQBSVDWHC-UKNXHTNDSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 645.845°C at 760 mmHg (Cal.)
• Flash point: 358.392°C (Cal.)