Elegantine

Base Information

• Chemical Name: Elegantine
• CAS No.: 20497-41-0
• Molecular Formula: C23H28N2O6
• Molecular Weight: 428.48
• DSSTox Substance ID: DTXSID301346581
• Nikkaji Number: J15.335D
• Mol file: 20497-41-0.mol

Synonyms:20497-41-0;Elegantine;DTXSID301346581;AKOS037623045;methyl (10S,15S,16S,18S,22S)-6,7-dimethoxy-22-methyl-2-oxo-21-oxa-12-azaspiro(indoline-3,6'-tricyclo(7.4.0.0(3,7))tridecane)-19-ene-19-carboxylate

Chemical Property of Elegantine

Chemical Property:

• Melting Point: 190-2°C
• PSA: 86.33000
• LogP: 2.15560
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 428.19473662
• Heavy Atom Count: 31
• Complexity: 786

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=C(C(=C(C=C5)OC)OC)NC4=O
• Isomeric SMILES: C[C@H]1[C@@H]2CN3CC[C@@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=C(C(=C(C=C5)OC)OC)NC4=O
• Description: A further alkaloid of this name has been described by Russian workers from Saussurea elegans M.B. Spreng. This base is dextrorotatory with a specific rotation of [α]D+ 75.4° (c 0.87, dimethylformamide). It forms a crystalline hydrobromide with m.p. 210°C and from the structure given and the published physical constants it is clearly not identical with that earlier described from Vinca elegantissima Hort.

Technology Process of Elegantine

There total 2 articles about Elegantine 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:

→ isomajdine (20497-41-0)

Guidance literature:

Majdin, Py. (S.4646);

DOI:10.1016/S0040-4020(01)98661-2

Reference yield:

→ Herboxin (20497-41-0,20497-42-1,27274-48-2,56832-55-4,57495-67-7,57495-68-8)

Guidance literature:

Majdin II, Isomerisierung;

DOI:10.1007/BF00566344