Ajugamarin G1

Base Information

Chemical Name:Ajugamarin G1
CAS No.:122587-83-1
Molecular Formula:C₃₄H₄₈O₁₁
Molecular Weight:632.749
Hs Code.:
ChEMBL ID:CHEMBL2269698
DSSTox Substance ID:DTXSID601098034
Metabolomics Workbench ID:127682
Wikidata:Q27138219
Mol file:122587-83-1.mol

Synonyms:AJUGAMARIN G1;CHEBI:69877;122587-83-1;CHEMBL2269698;DTXSID601098034;Q27138219;(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-[(2S)-2-{[(2S)-2-methylbutanoyl]oxy}-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl (2E)-2-methylbut-2-enoate;[(1S)-2-[(1S,2R,4S,4aR,5R,8R,8aR)-4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-[(E)-2-methylbut-2-enoyl]oxyspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate;2-Butenoic acid, 2-methyl-, (1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S)-2-(2,5-dihydro-5-oxo-3-furanyl)-2-[(2S)-2-methyl-1-oxobutoxy]ethyl]octahydro-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-4-yl ester, (2E)-

Suppliers and Price of Ajugamarin G1

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

Arctom
AjugamarinG1
5mg
$ 566.00

Total 7 raw suppliers

Chemical Property of Ajugamarin G1

Chemical Property:

Boiling Point:691.1°Cat760mmHg
Flash Point:282.7°C
PSA：144.03000
Density:1.21g/cm³
LogP:4.40190
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:15
Exact Mass:632.31966234
Heavy Atom Count:45
Complexity:1270

Purity/Quality:

Analysis control,HPLC≥95% ^*data from raw suppliers

AjugamarinG1 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C(=O)OC(CC1(C(CC(C2(C1C(CCC23CO3)OC(=O)C(=CC)C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4
Isomeric SMILES:CC[C@H](C)C(=O)O[C@@H](C[C@]1([C@@H](C[C@@H]([C@@]2([C@@H]1[C@@H](CC[C@]23CO3)OC(=O)/C(=C/C)/C)COC(=O)C)OC(=O)C)C)C)C4=CC(=O)OC4

Technology Process of Ajugamarin G1

There total 1 articles about Ajugamarin G1 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:

: 27763-54-8
(S)-2-methylbutanoyl chloride

: 78798-40-0
ajugamarin A₁

: 122587-83-1
ajugamarin G1

Guidance literature:: With pyridine; sodium hydrogencarbonate; dmap; Yield given. Multistep reaction; 1.) 10 h, reflux, 2.) MeOH room t., 10 min;