1-Hydroxyvitamin D3 Diacetate
[CAS# 41461-12-5]

Identification

• Name: 1-Hydroxyvitamin D3 Diacetate
• Synonyms: [(1S,3Z,5R)-3-[(2E)-2-[(3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-5-Acetoxy-4-Methylene-Cyclohexyl] Acetate; Acetic Acid [(1S,3Z,5R)-3-[(2E)-2-[(3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-5-Acetoxy-4-Methylenecyclohexyl] Ester; Acetic Acid [(1S,3Z,5R)-3-[(2E)-2-[(3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-5-Acetoxy-4-Methylene-Cyclohexyl] Ester
• Molecular Formula: C₃₁H₄₈O₄
• Molecular Weight: 484.72
• CAS Registry Number: 41461-12-5
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C([C@H](OC(=O)C)C[C@@H](OC(=O)C)C2)=C)CCC3[C@@H](CCCC(C)C)C)C
• InChI: 1S/C31H48O4/c1-20(2)10-8-11-21(3)28-15-16-29-25(12-9-17-31(28,29)7)13-14-26-18-27(34-23(5)32)19-30(22(26)4)35-24(6)33/h13-14,20-21,27-30H,4,8-12,15-19H2,1-3,5-7H3/b25-13+,26-14-/t21-,27+,28?,29+,30-,31-/m1/s1
• InChIKey: JRQYVHHHASBIEU-KMAMAKJRSA-N

Properties

• Density: 1.031g/cm³ (Cal.)
• Boiling point: 550.422°C at 760 mmHg (Cal.)
• Flash point: 263.011°C (Cal.)