3beta-(6-deoxy-3-O-methyl-alpha-L-talopyranosyloxy)-1beta,14-dihydroxy-5beta-card-20(22)-enolide

Base Information

• Chemical Name: 3beta-(6-deoxy-3-O-methyl-alpha-L-talopyranosyloxy)-1beta,14-dihydroxy-5beta-card-20(22)-enolide
• CAS No.: 663-95-6
• Molecular Formula: C30H46 O9
• Molecular Weight: 550.69
• European Community (EC) Number: 211-555-5
• ChEMBL ID: CHEMBL3391850
• Metabolomics Workbench ID: 65404
• Nikkaji Number: J13.347G
• Wikidata: Q27139260
• Mol file: 663-95-6.mol

Synonyms:acovenoside A

Chemical Property of 3beta-(6-deoxy-3-O-methyl-alpha-L-talopyranosyloxy)-1beta,14-dihydroxy-5beta-card-20(22)-enolide

Chemical Property:

• Vapor Pressure: 6.81E-25mmHg at 25°C
• Boiling Point: 734.3°C at 760 mmHg
• Flash Point: 236.4°C
• PSA: 134.91000
• Density: 1.31g/cm³
• LogP: 2.08100
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 550.31418304
• Heavy Atom Count: 39
• Complexity: 1000

Purity/Quality:

99% ^*data from raw suppliers

ACOVENOSIDE A Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CC3CCC4C(C3(C(C2)O)C)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O

Technology Process of 3beta-(6-deoxy-3-O-methyl-alpha-L-talopyranosyloxy)-1beta,14-dihydroxy-5beta-card-20(22)-enolide

There total 2 articles about 3beta-(6-deoxy-3-O-methyl-alpha-L-talopyranosyloxy)-1beta,14-dihydroxy-5beta-card-20(22)-enolide 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:

→ Acovenosid A (663-95-6)

Guidance literature:

Acobiosid A (H2O), Strophanthobiase in Ggw. von Eg. (37grad);

DOI:10.1002/hlca.19620450647

Reference yield:

→ Acovenosid (663-95-6)

Guidance literature:

Acospectosid A (V oder VI), enzymatische Hydrolyse;

DOI:10.1002/jps.2600581235