Ajugarin II

Base Information

Chemical Name:Ajugarin II
CAS No.:62640-06-6
Molecular Formula:C22H32O6
Molecular Weight:392.4859
Hs Code.:
UNII:30Y1ZRM6UE
DSSTox Substance ID:DTXSID00978199
Nikkaji Number:J34.277G
Wikidata:Q27255975

Synonyms:Ajugarin II;62640-06-6;ajugarin-ii;UNII-30Y1ZRM6UE;30Y1ZRM6UE;2(5H)-Furanone, 4-(2-(8a-((acetyloxy)methyl)octahydro-8-hydroxy-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)ethyl)-, (1R-(1alpha,4abeta,5beta,6alpha,8alpha,8aalpha))-;AJUGARIN-II [MI];[(4R,4aR,5S,7R,8S,8aR)-5-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate;DTXSID00978199;AKOS040750255;Q27255975;{8-Hydroxy-5,6-dimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl acetate;2(5H)-FURANONE, 4-(2-((1R,4AR,5S,6R,8S,8AR)-8A-((ACETYLOXY)METHYL)OCTAHYDRO-8-HYDROXY-5,6-DIMETHYLSPIRO(NAPHTHALENE-1(2H),2'-OXIRAN)-5-YL)ETHYL)-

Suppliers and Price of Ajugarin II

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
AJUGARIN-II 95.00%
5MG
$ 497.09

Total 1 raw suppliers

Chemical Property of Ajugarin II

Chemical Property:

Melting Point:188-189°
Boiling Point:553.2°Cat760mmHg
Flash Point:188.8°C
PSA：85.36000
Density:1.22g/cm³
LogP:2.77540
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:392.21988874
Heavy Atom Count:28
Complexity:701

Purity/Quality:: AJUGARIN-II 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(C2(C(C1(C)CCC3=CC(=O)OC3)CCCC24CO4)COC(=O)C)O
Isomeric SMILES:C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)CCC[C@]24CO4)COC(=O)C)O

Technology Process of Ajugarin II

There total 2 articles about Ajugarin II 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: 32.3%