Products 41451-75-6

CAS 41451-75-6 appears in our catalog under these names: Bruceantin, >95% (HPLC), Bruceantin/ 98.94% (existing batch purity), Bruceantin, Bruceantin, 99.94%. Offered by: TRC, TargetMol, GLPBio, Chemat, MedChemExpress. Available pack sizes: 10mg, 1mg, 5mg, 5 mg, 10mM/1mL, 1 mg, 10 mg.

Structural formula: {0} (CAS {1})

Bruceantin is a triterpenoid.

Source: ChEBI

Identity
Molecular formulaC28H36O11
Molecular weight548.6 g/mol
IUPAC namemethyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
InChIKeyIRQXZTBHNKVIRL-GOTQHHPNSA-N
SMILESCC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O

Computed by PubChem (NCBI)