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(ALL-SYN)-PENT-4-ENYL-(+)-TRIS-ENT-BEYERAN-19-OATE-[16,15-E:15',16'-E':16'',15''-E'']-TRIPTYCENO*-[2*,3*-B:6*,7*-B':14*,15*-B'']-TRIPYRAZINE
SpectraBase Compound ID KS1hL07snaw
InChI InChI=1S/C95H116N6O6/c1-13-16-19-43-105-81(102)90(10)34-22-31-87(7)67(90)28-40-93-54-86(6,39-27-70(87)93)77-78(93)99-64-49-58-57(48-63(64)98-77)74-59-50-65-61(96-75-79(100-65)94-41-29-68-88(8,71(94)25-37-84(75,4)52-94)32-23-35-91(68,11)82(103)106-44-20-17-14-2)46-55(59)73(58)56-47-62-66(51-60(56)74)101-80-76(97-62)85(5)38-26-72-89(9)33-24-36-92(12,83(104)107-45-21-18-15-3)69(89)30-42-95(72,80)53-85/h13-15,46-51,67-74H,1-3,16-45,52-54H2,4-12H3/t67-,68-,69+,70-,71-,72+,73+,74-,84-,85+,86-,87+,88+,89-,90+,91+,92-,93-,94-,95+/m0/s1
InChIKey DVORVIIGSCZGNE-FRNYMCOXSA-N
Mol Weight 1438.0 g/mol
Molecular Formula C95H116N6O6
Exact Mass 1436.895635 g/mol
Enantiomer InChIKey DVORVIIGSCZGNE-FYSGOTJDSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Novel supramolecular affinity materials based on (−)-isosteviol as molecular templates Beilstein Journal of Organic Chemistry 2013
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