Tabernaemontanine

Base Information

• Chemical Name: Tabernaemontanine
• CAS No.: 2134-98-7
• Molecular Formula: C₂₁H₂₆N₂O₃
• Molecular Weight: 354.449
• European Community (EC) Number: 218-367-2
• Metabolomics Workbench ID: 142947
• Nikkaji Number: J108.298A
• Wikidata: Q96407548
• Wikipedia: Tabernaemontanine
• Mol file: 2134-98-7.mol

Synonyms:Tabernaemontanine;(-)-Tabernemontanine;Tabernaemontanin;2134-98-7;methyl (1S,14S,15S,18S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate;Tabernemontanine;20-Epidregamine;(-)-tabernaemontanine;MLS000728624;CHEBI:142075;HMS2270C03;SMR000470803;NS00048689;methyl (20beta)-3-oxo-19,20-dihydrovobasan-17-oate

Chemical Property of Tabernaemontanine

Chemical Property:

• Boiling Point: 515.9°Cat760mmHg
• Flash Point: 265.8°C
• Density: 1.176g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 354.19434270
• Heavy Atom Count: 26
• Complexity: 566

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C
• Isomeric SMILES: CC[C@@H]1CN([C@H]2CC3=C(C(=O)C[C@@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C

Technology Process of Tabernaemontanine

There total 7 articles about Tabernaemontanine 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:

→ tabernaemontanine (2134-98-7,2299-26-5,6835-98-9,33172-26-8,33172-27-9,52389-31-8,101221-72-1)

Guidance literature:

Vobasin, Raney-Ni, A., CO2, 20grad, Normaldruck, Hydrierung;

DOI:10.1002/hlca.19630460639

Reference yield:

→ dregamine (2134-98-7,2299-26-5,6835-98-9,33172-26-8,33172-27-9,52389-31-8,101221-72-1)

Guidance literature:

Vorkommen in Ervatamia coronaria (1143);

DOI:10.1021/ja01490a031

Reference yield:

→ 3-oxo-19,20-dihydro-vobasan-17-oic acid methyl ester (2134-98-7,2299-26-5,6835-98-9,33172-26-8,33172-27-9,52389-31-8,101221-72-1)

Guidance literature:

Isolierung aus Hazunta velutina Pichon;

Refernces