Paulomycin B
Molecular Formula:
C33H44N2O17S
InChI: InChI=1/C33H44N2O17S/c1-8-17(35-12-53)31(43)52-25-19(11-47-16(6)36)50-28(32(44)10-18(37)23(34)22(27(32)39)29(40)41)24(38)26(25)51-21-9-20(46-7)33(45,14(4)48-21)15(5)49-30(42)13(2)3/h8,13-15,19-21,24-26,28,38,44-45H,9-11,34H2,1-7H3,(H,40,41)/b17-8-/t14u,15-,19u,20?,21?,24?,25?,26?,28?,32+,33?/m1/s1/f/h40H
InChIKey: InChIKey=LTHZTSCPJPCHJG-QZDUIJAWDV
SMILES: CC=C(C(=O)OC1C(OC(C(C1OC2CC(C(C(O2)C)(C(C)OC(=O)C(C)C)O)OC)O)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)N=C=S
Names:
NSC356208
Paulomycin B
(5R)-5-[6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-[(1R)-1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-oxan-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
81988-76-3
Registries:
PubChem CID 5458818
PubChem ID 8141411
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