CAS 18642-44-9 appears in our catalog under these names: Actein, Actein, 98%, 98%, Actein (Standard), Actein, 99.58%, Actein, ROTICHROM® HPLC, 5 mg, glass. Offered by: Chemat Brand, TRC, TargetMol, Biosynth, Chemat. Available pack sizes: on request, 50mg, 1mg, 5mg, 10mg, 25mg, Get quote, 5 mg.
Actein is a triterpenoid. It has a role as a metabolite.
Source: ChEBI
| Molecular formula | C37H56O11 |
|---|---|
| Molecular weight | 676.8 g/mol |
| IUPAC name | [(1S,1'R,2S,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-2-hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate |
| InChIKey | NEWMWGLPJQHSSQ-PSDKAYTQSA-N |
| SMILES | C[C@@H]1C[C@@]2([C@H]3[C@](O3)([C@H](O2)O)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C |
Computed by PubChem (NCBI)