3-O-Acetyl-16alpha-hydroxytrametenolic acid

Base Information

• Chemical Name: 3-O-Acetyl-16alpha-hydroxytrametenolic acid
• CAS No.: 168293-13-8
• Molecular Formula: C₃₂H₅₀O₅
• Molecular Weight: 514.746
• DSSTox Substance ID: DTXSID501346618
• Mol file: 168293-13-8.mol

Synonyms:168293-13-8;3-O-Acetyl-16 alpha-hydroxytrametenolic acid;3-O-Acetyl-16alpha-hydroxytrametenolic acid;CCRIS 7793;DTXSID501346618;(2R)-2-[(3S,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid

Chemical Property of 3-O-Acetyl-16alpha-hydroxytrametenolic acid

Chemical Property:

• Melting Point: >300 °C
• Boiling Point: 606.9±55.0 °C(Predicted)
• PKA: 4.65±0.10(Predicted)
• PSA: 83.83000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 7.08540
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 514.36582469
• Heavy Atom Count: 37
• Complexity: 1000

Purity/Quality:

≥98% ^*data from raw suppliers

3-O-Acetyl-16α-hydroxytrametenolicacid 99.23% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCC(C1C(CC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)O)C(=O)O)C
• Isomeric SMILES: CC(=CCC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O)C

Technology Process of 3-O-Acetyl-16alpha-hydroxytrametenolic acid

There total 1 articles about 3-O-Acetyl-16alpha-hydroxytrametenolic acid 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:

3-o-acetyl-16α-hydroxytrametenolic acid phthalimidomethyl ester → 3-O-acetyl-16α-hydroxytrametenolic acid (168293-13-8)

Guidance literature:

With sodium hydroxide; In ethanol; chloroform; Ambient temperature;

DOI:10.1016/0031-9422(95)00182-7

Refernces