Nimbin

Base Information

• Chemical Name: Nimbin
• CAS No.: 5945-86-8
• Molecular Formula: C30H36 O9
• Molecular Weight: 540.61
• Hs Code.: 13021920
• European Community (EC) Number: 611-830-3
• UNII: N4CTG7K9IU
• DSSTox Substance ID: DTXSID80208168
• Nikkaji Number: J14.280H
• Wikipedia: Nimbin_(chemical)
• Wikidata: Q3886776
• Metabolomics Workbench ID: 124479
• ChEMBL ID: CHEMBL1774397
• Mol file: 5945-86-8.mol

Synonyms:nimbin

Chemical Property of Nimbin

Chemical Property:

• Vapor Pressure: 1.22E-14mmHg at 25°C
• Melting Point: 197-199oC (dec.)
• Boiling Point: 606.1oC at 760 mmHg
• Flash Point: 320.4oC
• PSA: 118.34000
• Density: 1.27g/cm3
• LogP: 3.92240
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 540.23593272
• Heavy Atom Count: 39
• Complexity: 1160

Purity/Quality:

98%Min ^*data from raw suppliers

Nimbin ^*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(C4OC(=O)C)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]4OC(=O)C)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C

Technology Process of Nimbin

There total 1 articles about Nimbin 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:

→ nimbin (5945-86-8,101527-71-3,22076-43-3,25990-69-6)

Guidance literature:

Desacetylnimbin, Ac2O;

Reference yield: 82.0%

heptakis(2,6-di-O-methyl)cyclomaltoheptaose (51166-71-3) + Nimbin (5945-86-8,22076-43-3,25990-69-6) → C30H36O9*C56H98O35 (1240044-32-9)

Guidance literature:

In ethanol; water; at 20 ℃; for 120h;

DOI:10.1021/jf101079e

Reference yield: 80.0%

Nimbin (5945-86-8,22076-43-3,25990-69-6) + 2,3,6-trimethyl-beta-cyclodextrin (55216-11-0) → C30H36O9*C63H112O35 (1240044-34-1)

Guidance literature:

In ethanol; water; at 20 ℃; for 120h;

DOI:10.1021/jf101079e

Downstream raw materials:

6-deacetylnimbinene

7α,15β;21,23-diepoxy-6α-hydroxy-4β,8-dimethyl-1-oxo-11,13-seco-C,24-dinor-5α,17βH-chola-2,13,20,22-tetraene-4α,11-dicarboxylic acid-4-methyl ester

6-De-O-acetylnimbin

C₃₀H₃₆O₉*C₅₆H₉₈O₃₅