Trametenolic acid

Base Information

• Chemical Name: Trametenolic acid
• CAS No.: 24160-36-9
• Molecular Formula: C₃₀H₄₈O₃
• Molecular Weight: 456.709
• UNII: 8PF73ZP92L
• ChEMBL ID: CHEMBL387689
• DSSTox Substance ID: DTXSID50946989
• Metabolomics Workbench ID: 46965
• Nikkaji Number: J126.673J
• Wikidata: Q15634148
• Wikipedia: Trametenolic_acid
• Mol file: 24160-36-9.mol

Synonyms:trametenolic acid B

Chemical Property of Trametenolic acid

Chemical Property:

• Vapor Pressure: 3.26E-15mmHg at 25°C
• Melting Point: 259-261 °C
• Boiling Point: 566.9°C at 760 mmHg
• PKA: 4.65±0.10(Predicted)
• Flash Point: 310.7°C
• PSA: 57.53000
• Density: 1.07g/cm³
• LogP: 7.54380
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 456.36034539
• Heavy Atom Count: 33
• Complexity: 862

Purity/Quality:

≥97% ^*data from raw suppliers

Trametenolicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O)C
• Isomeric SMILES: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O)C

Technology Process of Trametenolic acid

There total 2 articles about Trametenolic 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:

→ 3α-Hydroxytirucall-8,24-dien-21-saeure (6703-11-3,24160-36-9,28282-27-1,28282-54-4,117895-66-6,134356-43-7)

Guidance literature:

Aus Acetat IVa mit methanol. KOH;

Reference yield:

→ 3β-Hydroxytirucall-8,24-dien-21-saeure (6703-11-3,24160-36-9,28282-27-1,28282-54-4,117895-66-6,134356-43-7)

Guidance literature:

Aus Elemonsaeure (Ia) mit NaBH4;

Reference yield:

trametenolic acid (6703-11-3,28282-27-1,28282-54-4,117895-66-6,134356-43-7,24160-36-9) + acetic anhydride (108-24-7) → acetyl trametenolic acid (117895-68-8,174391-64-1)

Guidance literature:

With pyridine;

DOI:10.1021/np990367l

Downstream raw materials:

3β-hydroxy-lanost-8-en-21-oic acid

acetyl trametenolic acid