Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-

Base Information

• Chemical Name: Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-
• CAS No.: 72880-91-2
• Molecular Formula: C₂₀H₂₂N₂O₃
• Molecular Weight: 338.406
• DSSTox Substance ID: DTXSID60223177
• Wikidata: Q76155406
• Mol file: 72880-91-2.mol

Synonyms:Acide tetrahydroalstonique [French];Acide tetrahydroalstonique;Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-;(19-alpha,20-alpha)-16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid;72880-91-2;SCHEMBL17088318;DTXSID60223177;LS-99751

Chemical Property of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-

Chemical Property:

• Vapor Pressure: 4.74E-13mmHg at 25°C
• Boiling Point: 552.7°Cat760mmHg
• Flash Point: 288.1°C
• Density: 1.37g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 338.16304257
• Heavy Atom Count: 25
• Complexity: 592

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)O)NC5=CC=CC=C45
• Isomeric SMILES: C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)O)NC5=CC=CC=C45

Technology Process of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)-

There total 4 articles about Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, (19-alpha,20-alpha)- 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:

tetrahydroalstonine (6474-90-4) → 19α-methyl-(20α)-18-oxa-yohimb-16-ene-16-carboxylic acid (72880-91-2)

Guidance literature:

With potassium hydroxide; In ethanol; for 9h; Heating;

DOI:10.1016/S0040-4039(99)01729-3

Reference yield:

→ 19α-methyl-(20α)-18-oxa-yohimb-16-ene-16-carboxylic acid (72880-91-2)

Guidance literature:

With potassium hydroxide;

DOI:10.1039/jr9380001353

Reference yield:

→ Rauniticinsaeure (522-81-6,14635-61-1,72880-91-2)

Guidance literature:

Aus Rauniticin u. aethanol. KOH;

DOI:10.1002/jps.2600501206

upstream raw materials:

tetrahydroalstonine

Refernces

• 1、 SALKIN,HOSANSKY,JARET. "Leaf alkaloids of Rauwolfia nitida.". . p. 1038 - 1041. Retrieved 2007/10/04.