Products 111614-46-1
CAS 111614-46-1 is the registry number for 17α-Deacetyltanghinin. Offered by: MedChemExpress. Available pack sizes: 5 mg, 1 mg.
3-[(1R,3S,5S,7S,10S,11R,14R,15S,18R)-7-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one (CAS 111614-46-1) is a chemical compound with the molecular formula C30H44O9 and a molecular weight of 548.7 g/mol. IUPAC name: 3-[(1R,3S,5S,7S,10S,11R,14R,15S,18R)-7-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one. InChIKey: LVGNJQMAMYJAIL-SDRANUSUSA-N.
| Molecular formula | C30H44O9 |
|---|---|
| Molecular weight | 548.7 g/mol |
| IUPAC name | 3-[(1R,3S,5S,7S,10S,11R,14R,15S,18R)-7-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-18-hydroxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one |
| InChIKey | LVGNJQMAMYJAIL-SDRANUSUSA-N |
| SMILES | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@@H](CC[C@@]5([C@]46[C@@H](O6)C[C@@H]3C2)O)C7=CC(=O)OC7)C)C)O)OC)O |
Computed by PubChem (NCBI)