Molecule ID: mol14370

SMILES: C=C1[C@@H]2CC3C4N5C[C@]6(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]47C6[C@@H]5C[C@]3([C@H]1OC(C)=O)[C@@]7(O)C2

InChI: InChI=1S/C26H33NO7/c1-11-15-6-16-20-26-19-17(8-24(16,25(26,31)7-15)21(11)33-13(3)29)27(20)10-23(19,5)9-18(32-12(2)28)22(26)34-14(4)30/h15-22,31H,1,6-10H2,2-5H3/t15-,16?,17+,18-,19?,20?,21+,22+,23+,24+,25+,26+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.35 Datawarrior 1 » 0
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Charge States and Microspecies Visualization