23,25,26-Trihydroxyvitamin D3
[CAS# 81515-15-3]

Identification

• Name: 23,25,26-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-1,2,4-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-1,2,4-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-1,2,4-Triol
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• CAS Registry Number: 81515-15-3
• 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)CC(O)(CO)C)C)C
• InChI: 1S/C27H44O4/c1-18-7-10-22(29)15-21(18)9-8-20-6-5-13-27(4)24(11-12-25(20)27)19(2)14-23(30)16-26(3,31)17-28/h8-9,19,22-25,28-31H,1,5-7,10-17H2,2-4H3/b20-8+,21-9-/t19-,22-,23?,24-,25+,26?,27-/m1/s1
• InChIKey: GDIBDBUYVICGLY-MONKDXFQSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 615.531°C at 760 mmHg (Cal.)
• Flash point: 262.358°C (Cal.)