5,6:14,16-Diethylidine-grayanotoxin III

Base Information

• Chemical Name: 5,6:14,16-Diethylidine-grayanotoxin III
• CAS No.: 59331-15-6
• Molecular Formula: C24H38O6
• Molecular Weight: 422.5549
• DSSTox Substance ID: DTXSID40974756

Synonyms:5,6:14,16-Diethylidine-grayanotoxin III;59331-15-6;Grayanotoxane-3,5,6,10,14,16-hexol, cyclic 5,6:14,16-bis(ethylidene acetal), (3-beta,6-beta,14R)-;DTXSID40974756;LS-73120;2,4,4,7,10,12-Hexamethyldodecahydro-2H,10H,12H-10,13b-methano[1,3]dioxolo[8,8a]azuleno[5,6-h][1,3]benzodioxine-5,7-diol

Chemical Property of 5,6:14,16-Diethylidine-grayanotoxin III

Chemical Property:

• Vapor Pressure: 3.26E-14mmHg at 25°C
• Boiling Point: 546.3°Cat760mmHg
• Flash Point: 284.2°C
• Density: 1.25g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 422.26683893
• Heavy Atom Count: 30
• Complexity: 771

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1OC2CC34CC5(C(C3OC(O5)C)CCC4C(C6C2(O1)C(C(C6)O)(C)C)(C)O)C
• Isomeric SMILES: CC1O[C@@H]2CC34C[C@@]5([C@@H]([C@H]3OC(O5)C)CC[C@H]4[C@@]([C@H]6C2(O1)C([C@H](C6)O)(C)C)(C)O)C

Technology Process of 5,6:14,16-Diethylidine-grayanotoxin III

There total 2 articles about 5,6:14,16-Diethylidine-grayanotoxin III 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:

→ Diethyliden-10-epi-grayanatoxin III (4574-12-3,39864-86-3,59331-15-6)

Guidance literature:

Verb. 3, Acetaldehyd, ZnCl2;

DOI:10.1016/0040-4020(72)88142-0

Reference yield:

→ C24H38O6 (59331-15-6)

Guidance literature:

aus Grayanotoxin G III, CH3CHO (CuSO4);

DOI:10.1248/cpb.26.1615

Reference yield:

C24H38O6 (59331-15-6) → rhodojaponin IV (30460-34-5)

Guidance literature:

With ozone; In acetic acid; ethyl acetate;

DOI:10.1248/cpb.26.1615

Downstream raw materials:

rhodojaponin IV

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