CAS 19083-00-2 appears in our catalog under these names: Gracillin, 95%, Gracillin, Gracillin, >95.0%(HPLC), Gracillin, 98.00%, gracillin 99%. Offered by: Combi-blocks, GLPBio, TargetMol, TCI, Biosynth. Available pack sizes: 100mg, 250mg, 20mg, 10mM (in 1ml dmso), 2mg, 5mg, 10mg, 25mg.
Gracillin is a triterpenoid.
Source: ChEBI
| Molecular formula | C45H72O17 |
|---|---|
| Molecular weight | 885.0 g/mol |
| IUPAC name | (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| InChIKey | YQEMAEKYNNOCBY-IEMDQPGHSA-N |
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 |
Computed by PubChem (NCBI)