CAS 26577-85-5 appears in our catalog under these names: Petasin, min. 95 %, 5 mg, Petasin, Petasin, min. 95 %, 2 mg, Petasin, min. 95 %, 10 mg, Petasin, min. 95 %, 25 mg. Offered by: Roth, Chemat Brand, Hubei YoungXin, Biosynth, MedChemExpress. Available pack sizes: 5mg, on request, 10mg, 25mg, 50mg, 100mg, 200mg, 1mg.
Petasin is an enoate ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of (1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-ol. It has a role as a vasodilator agent, an anti-allergic agent, a plant metabolite and an EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} activator. It is a sesquiterpenoid, an alicyclic ketone, an enone and an enoate ester. It is functionally related to an angelic acid.
Source: ChEBI
| Molecular formula | C20H28O3 |
|---|---|
| Molecular weight | 316.4 g/mol |
| IUPAC name | [(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate |
| InChIKey | ISTBXSFGFOYLTM-NZEDGPFZSA-N |
| SMILES | C/C=C(/C)\C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@@]2([C@H]1C)C)C(=C)C |
Computed by PubChem (NCBI)