Terminolic acid

Base Information

• Chemical Name: Terminolic acid
• CAS No.: 564-13-6
• Molecular Formula: C30H48O6
• Molecular Weight: 504.6985
• UNII: 9Z1542R0IT
• ChEMBL ID: CHEMBL518567
• Metabolomics Workbench ID: 141756
• Nikkaji Number: J126.647K
• Wikidata: Q27273401
• Mol file: 564-13-6.mol

Synonyms:terminolic acid

Chemical Property of Terminolic acid

Chemical Property:

• Vapor Pressure: 5.75E-19mmHg at 25°C
• Melting Point: 332-334 °C
• Boiling Point: 638.1°Cat760mmHg
• PKA: 4.59±0.70(Predicted)
• Flash Point: 353.7°C
• PSA: 118.22000
• Density: 1.23g/cm³
• LogP: 4.14760
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 504.34508925
• Heavy Atom Count: 36
• Complexity: 975

Purity/Quality:

97% ^*data from raw suppliers

Terminolicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1)C)C(=O)O)C
• Isomeric SMILES: C[C@@]12CC[C@]3(CCC(C[C@H]3C1=CC[C@H]4[C@]2(C[C@H]([C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)(C)C)C(=O)O

Technology Process of Terminolic acid

There total 3 articles about Terminolic 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:

Mi-saponin A (54328-42-6) → bassic acid (465-01-0) + protobassic acid (564-13-6,37905-13-8,98985-56-9)

Guidance literature:

With sulfuric acid; In ethanol; for 3h; Heating;

DOI:10.1016/0031-9422(90)87090-H

Reference yield:

→ (6aS,6bR,8R,9R,12aR)-8,10,11-Trihydroxy-9-hydroxymethyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid (564-13-6,37905-13-8,98985-56-9)

Guidance literature:

Misaponin C 10, enzymat. Hydrolyse;

DOI:10.1248/cpb.26.1100

Reference yield:

β-D-glucopyranosyl 2α,3β,6β,23-tetrahydroxyolean-12-en-28-oate (149475-28-5) → terminolic acid (564-13-6)

Guidance literature:

With potassium hydroxide; for 3h; Heating;

DOI:10.1016/0031-9422(93)85243-K

upstream raw materials:

β-D-glucopyranosyl 2α,3β,6β,23-tetrahydroxyolean-12-en-28-oate

Mi-saponin A