Products 1108-68-5
CAS 1108-68-5 appears in our catalog under these names: Cinobufotalin, Cinobufotalin, >95% (HPLC), Cinobufotalin/ 99.94% (existing batch purity), Cinobufotalin, 99.86%. Offered by: GLPBio, TRC, TargetMol, MedChemExpress. Available pack sizes: 5mg, 10mg, 1mg, 2mg, 25mg, 50mg, 10mM (in 1ml dmso), 10mM/1mL.
[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate (CAS 1108-68-5) is a chemical compound with the molecular formula C26H34O7 and a molecular weight of 458.5 g/mol. IUPAC name: [(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate. InChIKey: KBKUJJFDSHBPPA-ZNCGZLKOSA-N.
| Molecular formula | C26H34O7 |
|---|---|
| Molecular weight | 458.5 g/mol |
| IUPAC name | [(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate |
| InChIKey | KBKUJJFDSHBPPA-ZNCGZLKOSA-N |
| SMILES | CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O)C)C6=COC(=O)C=C6 |
Computed by PubChem (NCBI)
Synonyms:
Cinobufotalin, CINOBUFOTLIN, Cinobufagin metabolite m-2, 3beta,5beta-dihydroxy-16beta-acetoxy-14beta,15beta-epoxy-bufa-20,22-dienolide, 14,15b-Epoxy-3b,5a,16b-trihydroxy-5b,20(22)-bufadienolide 16-acetate, 5b,20(22)-Bufadienolide-14,15b-epoxy-3b,5a,16b-triol 16-Acetate, Cinobufotalin?, CINOBUFOTALIN [MI], CINOBUFOTALIN [WHO-DD], orb1219102