Products 948038-38-8
CAS 948038-38-8 is the registry number for Bruceine J. Offered by: Biosynth, MedChemExpress. Available pack sizes: 10mg, 50mg, 25mg, Get quote.
(1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid (CAS 948038-38-8) is a chemical compound with the molecular formula C25H32O11 and a molecular weight of 508.5 g/mol. IUPAC name: (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid. InChIKey: COWHTTGEYSMEQL-IELPQYESSA-N.
| Molecular formula | C25H32O11 |
|---|---|
| Molecular weight | 508.5 g/mol |
| IUPAC name | (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylic acid |
| InChIKey | COWHTTGEYSMEQL-IELPQYESSA-N |
| SMILES | CC1=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)CC(C)C)(OC5)C(=O)O)O)O)C)O |
Computed by PubChem (NCBI)
Synonyms:
bruceine J, orb1981880