Mollicellin D

Base Information

• Chemical Name: Mollicellin D
• CAS No.: 68455-11-8
• Molecular Formula: C21H21ClO6
• Molecular Weight: 404.8408
• Hs Code.: 29419000
• UNII: AB983U35T0
• DSSTox Substance ID: DTXSID10218573
• Metabolomics Workbench ID: 45998
• Mol file: 68455-11-8.mol

Synonyms:Mollicellin D;68455-11-8;UNII-AB983U35T0;AB983U35T0;11H-Dibenzo(b,e)(1,4)dioxepin-11-one, 2-chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-butenyl)-;2-Chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methyl-2-butenyl)-11H-dibenzo(b,e)(1,4)dioxepin-11-one;2-chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methylbut-2-en-1-yl)-11H-dibenzo[b,e][1,4]dioxepin-11-one;SCHEMBL17975282;DTXSID10218573;MFCD08274585;AKOS030213205;BS-1394;8-chloro-2,9-dihydroxy-10-(hydroxymethyl)-4,7-dimethyl-3-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one;Q27273841;11H-DIBENZO(B,E)(1,4)DIOXEPIN-11-ONE, 2-CHLORO-3,7-DIHYDROXY-4-(HYDROXYMETHYL)-1,9-DIMETHYL-8-(3-METHYL-2-BUTEN-1-YL)-;13-chloro-5,14-dihydroxy-15-(hydroxymethyl)-7,12-dimethyl-6-(3-methylbut-2-en-1-yl)-2,9-dioxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one

Chemical Property of Mollicellin D

Chemical Property:

• Vapor Pressure: 3.39E-17mmHg at 25°C
• Boiling Point: 638.9°Cat760mmHg
• Flash Point: 340.2°C
• PSA: 96.22000
• Density: 1.38g/cm³
• LogP: 4.69390
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 404.1026661
• Heavy Atom Count: 28
• Complexity: 606

Purity/Quality:

95% ^*data from raw suppliers

MOLLICELLIN-D 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC2=C1OC(=O)C3=C(C(=C(C(=C3O2)CO)O)Cl)C)O)CC=C(C)C

Technology Process of Mollicellin D

There total 1 articles about Mollicellin D 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:

chartarolide C → 2-chloro-3,7-dihydroxy-4-(hydroxymethyl)-1,9-dimethyl-8-(3-methylbut-2-enyl)-11H-dibenzo[b,e][1,4]dioxepin-2-one (68455-11-8) + stachybotrylactam (163391-76-2)

Guidance literature:

With sulfuric acid; In methanol; at 90 ℃; for 2h;

DOI:10.1016/j.tetlet.2017.03.079