Products 21499-66-1
CAS 21499-66-1 appears in our catalog under these names: Bruceine D/ 99.99%, Bruceine D, Bruceine D, 99.50%, Bruceine D, 95%. Offered by: TargetMol, Biosynth, MedChemExpress, Fluorochem, Ambeed. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 2mg, 50 mg.
Bruceine D is a quassinoid that is 13,20-epoxypicras-3-ene substituted by hydroxy groups at positions 1, 11, 12, 14 and 15 and oxo groups at positions 2 and 16. Isolated from the ethanol extract of the stem of Brucea mollis, it exhibits cytotoxic activity. It has a role as a metabolite, an antineoplastic agent and a plant metabolite. It is a delta-lactone, a secondary alpha-hydroxy ketone, a pentol, an organic heteropentacyclic compound and a quassinoid. It derives from a hydride of a picrasane.
Source: ChEBI
| Molecular formula | C20H26O9 |
|---|---|
| Molecular weight | 410.4 g/mol |
| IUPAC name | (1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione |
| InChIKey | JBDMZGKDLMGOFR-KQSRGDCESA-N |
| SMILES | CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@]4([C@H](C(=O)O3)O)O)(OC5)C)O)O)C)O |
Computed by PubChem (NCBI)