Arnicolide A

Base Information

Chemical Name:Arnicolide A
CAS No.:36505-53-0
Molecular Formula:C17H22O5
Molecular Weight:306.3536
Hs Code.:
DSSTox Substance ID:DTXSID50190006
Nikkaji Number:J17.938H
Wikidata:Q27105842
Metabolomics Workbench ID:69157
ChEMBL ID:CHEMBL425554
Mol file:36505-53-0.mol

Synonyms:Arnicolide A;Dihydrohelenalin acetate;36505-53-0;6-O-Acetyldihydrohelenalin;Dihydrohelenalin acatate;11alpha,13-dihydrohelenalinacetate;CHEBI:2829;CHEMBL425554;[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] acetate;Azuleno(6,5-b)furan-2,5-dione, 4-(acetyloxy)-3,3a,4,4a,7a,8,9,9a-octahydro-3,4a,8-trimethyl-, (3S-(3alpha,3abeta,4beta,4aalpha,7abeta,8beta,9abeta))-;AC1L9CBQ;DTXSID50190006;BDBM50433468;C09299;Q27105842

Suppliers and Price of Arnicolide A

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

Total 2 raw suppliers

Chemical Property of Arnicolide A

Chemical Property:

Vapor Pressure:1.71E-08mmHg at 25°C
Boiling Point:455.8°Cat760mmHg
Flash Point:201.6°C
PSA：69.67000
Density:1.21g/cm³
LogP:1.89700
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:306.14672380
Heavy Atom Count:22
Complexity:565

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C
Isomeric SMILES:C[C@@H]1C[C@@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C

Technology Process of Arnicolide A

There total 6 articles about Arnicolide A 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:

: 4955-27-5,6586-76-1,10092-04-3,10181-00-7,36505-53-0
1-epi-Isotenulin

Guidance literature:: VI in Me., konz. HCl ;
DOI:10.1016/0040-4020(66)80158-8

Reference yield:

: 6754-13-8
Helenalin

: 36505-53-0
arnicolide A

Guidance literature:: Multi-step reaction with 3 steps

1: methanol; aqueous hydrogen peroxide; aq. NaOH solution

2: palladium/charcoal; ethanol / Hydrogenation

3: pyridine

With pyridine; methanol; sodium hydroxide; palladium on activated charcoal; ethanol; dihydrogen peroxide;
DOI:10.1021/ja01175a089

Reference yield:

: 41945-41-9
2,3-epoxyhelenalin

: 36505-53-0
arnicolide A

Guidance literature:: Multi-step reaction with 2 steps

1: palladium/charcoal; ethanol / Hydrogenation

2: pyridine

With pyridine; palladium on activated charcoal; ethanol;
DOI:10.1021/ja01175a089