Products 124962-06-7
CAS 124962-06-7 is the registry number for Abrusoside A. Offered by: MedChemExpress. Available pack sizes: Get quote.
Abrusoside A is a triterpenoid saponin that is (22S,24Z)-3beta-hydroxy-26-oxo-22,26-epoxy-9beta,19-cyclolanost-24-en-28-oic acid having a beta-D-glucosyl residue attached at position 3 via a glycosidic bond. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a steroid lactone and a triterpenoid saponin.
Source: ChEBI
| Molecular formula | C36H54O10 |
|---|---|
| Molecular weight | 646.8 g/mol |
| IUPAC name | (1S,3R,6S,7S,8R,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid |
| InChIKey | CJHYXUPCGHKJOO-AYOTXDKCSA-N |
| SMILES | CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H]([C@@]6(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C |
Computed by PubChem (NCBI)