1alpha,24-Dihydroxyvitamin D3
[CAS# 60965-80-2]

Identification

• Name: 1alpha,24-Dihydroxyvitamin D3
• Synonyms: (1R,3S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-4-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,3S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-4-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,3S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(2R)-5-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₇H₄₄O₃
• Molecular Weight: 416.64
• CAS Registry Number: 60965-80-2
• 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](CCC(O)C(C)C)C)C
• InChI: 1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25?,26+,27-/m1/s1
• InChIKey: BJYLYJCXYAMOFT-RRXOBRNQSA-N

Properties

• Density: 1.061g/cm³ (Cal.)
• Boiling point: 565.009°C at 760 mmHg (Cal.)
• Flash point: 238.429°C (Cal.)