1,24,25-Trihydroxyvitamin D3
[CAS# 50648-94-7]

Identification

• Name: 1,24,25-Trihydroxyvitamin D3
• Synonyms: (1S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-4,5-Dihydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-4,5-Dihydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1S,5Z)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(2R)-5,6-Dihydroxy-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: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• CAS Registry Number: 50648-94-7
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(C(O)C[C@@H](O)C2)=C)CC[C@@H]3[C@@H](CCC(O)C(O)(C)C)C)C
• InChI: 1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21+,22-,23+,24?,25?,27-/m1/s1
• InChIKey: WFZKUWGUJVKMHC-UBZOZHPXSA-N

Properties

• Density: 1.11g/cm³ (Cal.)
• Boiling point: 607.807°C at 760 mmHg (Cal.)
• Flash point: 258.534°C (Cal.)