6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol

Base Information

• Chemical Name: 6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol
• CAS No.: 57377-42-1
• Molecular Formula: C36H38N2O6
• Molecular Weight: 594.6967
• NSC Number: 251534
• DSSTox Substance ID: DTXSID80972877
• Wikidata: Q82956712
• Metabolomics Workbench ID: 125911
• ChEMBL ID: CHEMBL1976284
• Mol file: 57377-42-1.mol

Synonyms:57377-42-1;NSC251534;6,6'-Dimethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman-7,12-diol;6,6'-dimethoxy-2,2'-dimethylberbaman-7,12-diol;CHEMBL1976284;DTXSID80972877;XGEAUXVPBXUBKN-UHFFFAOYSA-N;NSC 251534;(1'.BETA.)-6,2'-DIMETHYLBERBAMAN-7,12-DIOL;6,6'-Dimethoxy-2,2'-dimethyl-9',10',11',12',13',14'-hexadehydro-9',10',11',12',13',14'-hexahydroberbaman-7,12-diol #

Chemical Property of 6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol

Chemical Property:

• Boiling Point: 706.5°Cat760mmHg
• PKA: 9.38±0.20(Predicted)
• Flash Point: 381.1°C
• PSA: 83.86000
• Density: 1.239g/cm³
• LogP: 6.43220
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 594.27298694
• Heavy Atom Count: 44
• Complexity: 948

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC
• Description: This alkaloid has been discovered, as a major component, in the extract from Abuta spendida where it occurs with aromoline and homoaromoline. Chemical and spectroscopic studies have given the above bisbenzylisoquinoline structure for krukovine.

Technology Process of 6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol

There total 1 articles about 6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol 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: 6.7%

(+)-isotetrandrine (477-57-6,518-34-3,1263-79-2,23495-89-8,23495-90-1,26137-48-4,26695-12-5,5990-67-0) → (+)-obamegine (479-37-8,21008-67-3,57377-42-1,66254-51-1)

Guidance literature:

With methanesulfonic acid; DL-methionine; for 24h; Ambient temperature;

DOI:10.3987/COM-91-5947

upstream raw materials:

(+)-isotetrandrine

Refernces