Emetan-6'-ol, 7',10,11-trimethoxy-, (1'beta)-

Base Information

• Chemical Name: Emetan-6'-ol, 7',10,11-trimethoxy-, (1'beta)-
• CAS No.: 5884-45-7
• Molecular Formula: C28H38 N2 O4
• Molecular Weight: 466.621
• ChEMBL ID: CHEMBL486005
• DSSTox Substance ID: DTXSID20207559
• Metabolomics Workbench ID: 138457
• Nikkaji Number: J1.901.694C
• Wikidata: Q83081467
• Mol file: 5884-45-7.mol

Synonyms:10-O-demethylisocephaeline;isocephaeline

Chemical Property of Emetan-6'-ol, 7',10,11-trimethoxy-, (1'beta)-

Chemical Property:

• PSA: 63.19000
• LogP: 4.90710
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 466.28315770
• Heavy Atom Count: 34
• Complexity: 664

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
• Isomeric SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC

Technology Process of Emetan-6'-ol, 7',10,11-trimethoxy-, (1'beta)-

There total 3 articles about Emetan-6'-ol, 7',10,11-trimethoxy-, (1'beta)- 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:

→ cephaeline (483-17-0) + isocephaeline (5884-45-7)

Guidance literature:

With ethanol; sodium;

Reference yield:

→ (+/-)-Isocephaelin (483-17-0,5884-41-3,5884-45-7,10159-64-5,17132-43-3)

Guidance literature:

(+-)-Proto-emetin (X), 3-Hydroxy-4-methoxy-phenethyl-amin (XI), neben (+-)-Cephaelin (XII);

Reference yield:

→ (+/-)-Cephaelin (483-17-0,5884-41-3,5884-45-7,10159-64-5,17132-43-3)

Guidance literature:

(+-)-Proto-emetin (X), 3-Hydroxy-4-methoxy-phenethyl-amin (XI) /BRN= 511627/, neben wenig (+-)-isocephaelin (XIII);