Vitamin D3 Palmitate
[CAS# 13403-10-6]

Identification

• Name: Vitamin D3 Palmitate
• Synonyms: [(1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexyl] Hexadecanoate; Hexadecanoic Acid [(1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexyl] Ester; Palmitic Acid [(1R,3Z)-3-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexyl] Ester
• Molecular Formula: C₄₃H₇₄O₂
• Molecular Weight: 623.06
• CAS Registry Number: 13403-10-6
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C(CC[C@@H](OC(=O)CCCCCCCCCCCCCCC)C2)=C)CC[C@@H]3[C@@H](CCCC(C)C)C)C
• InChI: 1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-42(44)45-39-29-26-35(4)38(33-39)28-27-37-24-21-32-43(6)40(30-31-41(37)43)36(5)23-20-22-34(2)3/h27-28,34,36,39-41H,4,7-26,29-33H2,1-3,5-6H3/b37-27+,38-28-/t36-,39-,40-,41+,43-/m1/s1
• InChIKey: FURKZYNGFYQYCT-ABCHVYGOSA-N

Properties

• Density: 0.944g/cm³ (Cal.)
• Boiling point: 663.214°C at 760 mmHg (Cal.)
• Flash point: 355.211°C (Cal.)