Products 81988-77-4
CAS 81988-77-4 is the registry number for Paulomycin A. Offered by: MedChemExpress. Available pack sizes: Get quote.
(3S)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-[(2S)-2-methylbutanoyl]oxyethyl]oxan-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid (CAS 81988-77-4) is a chemical compound with the molecular formula C34H46N2O17S and a molecular weight of 786.8 g/mol. IUPAC name: (3S)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-[(2S)-2-methylbutanoyl]oxyethyl]oxan-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid. InChIKey: VVGJRYRHYMYFCV-DCKDIENKSA-N.
| Molecular formula | C34H46N2O17S |
|---|---|
| Molecular weight | 786.8 g/mol |
| IUPAC name | (3S)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-[(2S)-2-methylbutanoyl]oxyethyl]oxan-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid |
| InChIKey | VVGJRYRHYMYFCV-DCKDIENKSA-N |
| SMILES | CC[C@H](C)C(=O)O[C@@H](C)[C@]1([C@@H](O[C@H](C[C@@H]1OC)O[C@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C(=C/C)/N=C=S)COC(=O)C)[C@]3(CC(=O)C(=N)C(=C3O)C(=O)O)O)O)C)O |
Computed by PubChem (NCBI)
Synonyms:
Paulomycin A, Volonomycin A