Deacetylnimbin

Base Information

• Chemical Name: Deacetylnimbin
• CAS No.: 18609-16-0
• Molecular Formula: C28H34O8
• Molecular Weight: 498.573
• Nikkaji Number: J1.333.640G,J506.048F
• Wikidata: Q27135761
• Metabolomics Workbench ID: 124480
• ChEMBL ID: CHEMBL1774398
• Mol file: 18609-16-0.mol

Synonyms:deacetylnimbin

Chemical Property of Deacetylnimbin

Chemical Property:

• Vapor Pressure: 2.03E-15mmHg at 25°C
• Melting Point: 204-206°C
• Boiling Point: 603.6°C at 760 mmHg
• Flash Point: 318.8°C
• PSA: 112.27000
• Density: 1.29g/cm³
• LogP: 3.35160
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 498.22536804
• Heavy Atom Count: 36
• Complexity: 1050

Purity/Quality:

99% ^*data from raw suppliers

DesacetylNimbin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C(C4O)C(C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C
• Isomeric SMILES: CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@H]4O)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C
• Uses: A new limonoid A new limonoid from Arisaema decipiens, a traditional antitumor herb.

Technology Process of Deacetylnimbin

There total 5 articles about Deacetylnimbin 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: 89.0%

Nimbin (22076-43-3,25990-69-6) → 6-De-O-acetylnimbin (18609-16-0)

Guidance literature:

With Nocardia sp. cells; In acetone; at 29 - 30 ℃; Microbiological reaction;

DOI:10.1039/b004260i

Reference yield: 75.0%

Nimbin (5945-86-8,22076-43-3,25990-69-6) → 6-De-O-acetylnimbin (18609-16-0)

Guidance literature:

With ethylenediamine; In methanol; for 0.116667h; Microwave irradiation;

DOI:10.1080/10286020.2010.507545

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) → 6-De-O-acetylnimbin (18609-16-0)

Guidance literature:

With methanol; diethyl ether;

upstream raw materials:

diazomethane

methanol

Nimbin

Nimbin

Refernces

• 1、 Mohankumar, Ramasamy,Ilango, Kaliappan,Santhanakrishnan, Vichangal Pridiuldi,Radhakrishnan, Viswanathan,Narasimhan, Srinivasan. "Ethylenediamine: An effective reagent for deacetylation of natural products". experimental part. p. 851 - 858. Retrieved 2010/12/25.