23,24,25-Trihydroxyvitamin D3
[CAS# 80463-20-3]

Identification

• Name: 23,24,25-Trihydroxyvitamin D3
• Synonyms: (6R)-6-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(5R)-5-Hydroxy-2-Methylene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Methyl-Heptane-2,3,4-Triol; (6R)-6-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(5R)-5-Hydroxy-2-Methylenecyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Methylheptane-2,3,4-Triol; (6R)-6-[(1R,3As,4E,7Ar)-4-[(2Z)-2-[(5R)-5-Hydroxy-2-Methylidene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]-2-Methyl-Heptane-2,3,4-Triol
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• CAS Registry Number: 80463-20-3
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(CC[C@@H](O)C2)=C)CC[C@@H]3[C@@H](CC(O)C(O)C(O)(C)C)C)C
• InChI: 1S/C27H44O4/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/h9-10,18,21-25,28-31H,1,6-8,11-16H2,2-5H3/b19-9+,20-10-/t18-,21-,22-,23+,24?,25?,27-/m1/s1
• InChIKey: HNYDOPFRXKGAFR-OQBSXKACSA-N

Properties

• Density: 1.11g/cm³ (Cal.)
• Boiling point: 611.093°C at 760 mmHg (Cal.)
• Flash point: 260.163°C (Cal.)