[(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hexadecanoate

Base Information

• Chemical Name: [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hexadecanoate
• CAS No.: 13403-10-6
• Molecular Formula: C₄₃H₇₄O₂
• Molecular Weight: 623.059
• Mol file: 13403-10-6.mol

Synonyms:cholecalciferol palmitate;vitamin D3 palmitate

Chemical Property of [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hexadecanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 663.2°Cat760mmHg
• Flash Point: 355.2°C
• PSA: 26.30000
• Density: 0.94g/cm³
• LogP: 13.65120
• XLogP3: 15.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 22
• Exact Mass: 622.56888160
• Heavy Atom Count: 45
• Complexity: 924

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OC1CCC(=C)C(=CC=C2CCCC3(C2CCC3C(C)CCCC(C)C)C)C1
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)O[C@@H]1CCC(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)/C1

Technology Process of [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hexadecanoate

There total 1 articles about [(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] hexadecanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

vitamin D3 (67-97-0) + n-hexadecanoyl chloride (112-67-4) → vitamin D3 palmitate (13403-10-6)

Guidance literature:

With pyridine; In benzene; Ambient temperature;

DOI:10.1007/BF00777693

upstream raw materials:

vitamin D₃

n-hexadecanoyl chloride

Refernces