![(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](/api/spectrum/34PN7xYdXAS/structure.png?h=300&w=458 "(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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 34PN7xYdXAS |
|---|---|
| Name | (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 |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C95H116N6O6 |
| 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 |
| Literature Reference Author | C.LOHOELTER,M.BRUTSCHY,D.LUBCZYK,S.R.WALDVOGEL |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,9,2821(2013) |
| Literature Reference DOI | 10.3762/bjoc.9.317 |
| Molecular Weight | 1438.003 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU77925 |