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IUPAC Name: 5-[6-(acetyloxymethyl)-4-[4,5-dihydroxy-6-methyl-5-[1-(2-methylbutanoyloxy)ethyl]oxan-2-yl]oxy-3-hydroxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid | CAS Registry Number: 113603-74-0Synonyms: O-Demethylpaulomycin A, CID6443910, 1-Cyclohexene-1-carboxylic acid, 5-(6-O-acetyl-3-O-(2,6-dideoxy-4-C-((S(S))-1-(2-methyl-1-oxobutoxy)ethyl)-alpha-L-lyxo-hexopyranosyl)-4-O-((Z)-2-isothiocyanato-1-oxo-2-butenyl)-beta-D-allopyranosyl)-2-amino-5-hydroxy-3,6-dioxo-, (S)-
| Molecular Formula: | C33H44N2O17S | Molecular Weight: | 772.770660 [g/mol] |
| H-Bond Donor: | 6 | H-Bond Acceptor: | 19 |
InChIKey: KDRLCZSKCPVIST-CAOOACKPSA-N
