Products 80118-77-0
CAS 80118-77-0 is the registry number for 4'-O-Demethyldianemycin. Offered by: MedChemExpress. Available pack sizes: Get quote.
Sodium (E)-6-[[(2S,7S,8S)-7-hydroxy-2-[(2R,4R,7R,9S,10R)-2-[(3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-8-yl]methyl]-2,4-dimethyl-5-oxonon-6-enoate (CAS 80118-77-0) is a chemical compound with the molecular formula C46H75NaO14 and a molecular weight of 875.1 g/mol. IUPAC name: sodium (E)-6-[[(2S,7S,8S)-7-hydroxy-2-[(2R,4R,7R,9S,10R)-2-[(3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-8-yl]methyl]-2,4-dimethyl-5-oxonon-6-enoate. InChIKey: POEFPAGCCFSWBQ-XBIOXLLRSA-M.
| Molecular formula | C46H75NaO14 |
|---|---|
| Molecular weight | 875.1 g/mol |
| IUPAC name | sodium (E)-6-[[(2S,7S,8S)-7-hydroxy-2-[(2R,4R,7R,9S,10R)-2-[(3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-8-yl]methyl]-2,4-dimethyl-5-oxonon-6-enoate |
| InChIKey | POEFPAGCCFSWBQ-XBIOXLLRSA-M |
| SMILES | CC/C=C(\C[C@]1(COC2(CC[C@@](O2)(C)[C@H]3C[C@@H]([C@H](C4(O3)[C@@H](C[C@@H](O4)C5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C)C)O[C@@H]6CC[C@@H]([C@H](O6)C)O)C[C@@H]1O)C)/C(=O)C(C)CC(C)C(=O)[O-].[Na+] |
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