![4,6,16,18,28,30,40,42,52,54-DECAAZA-11,23,35,47,59-PENTAMETHYL-5,17,29,41,53-PENTAPHENYL-2,8,14,20,26,32,38,44,50,56-DECAOXACALIX-[10]-ARENE](/api/spectrum/GhRj2D1nwvs/structure.png?h=300&w=458 "4,6,16,18,28,30,40,42,52,54-DECAAZA-11,23,35,47,59-PENTAMETHYL-5,17,29,41,53-PENTAPHENYL-2,8,14,20,26,32,38,44,50,56-DECAOXACALIX-[10]-ARENE")
| SpectraBase Compound ID | AIZst2VRTqj |
|---|---|
| InChI | InChI=1S/C85H60N10O10/c1-51-31-61-41-62(32-51)97-72-47-74(89-82(87-72)57-23-13-7-14-24-57)99-64-34-53(3)36-66(43-64)101-76-49-78(93-84(91-76)59-27-17-9-18-28-59)103-68-38-55(5)40-70(45-68)105-80-50-79(94-85(95-80)60-29-19-10-20-30-60)104-69-39-54(4)37-67(44-69)102-77-48-75(90-83(92-77)58-25-15-8-16-26-58)100-65-35-52(2)33-63(42-65)98-73-46-71(96-61)86-81(88-73)56-21-11-6-12-22-56/h6-50H,1-5H3 |
| InChIKey | OFPDMIMQNYACMM-UHFFFAOYSA-N |
| Mol Weight | 1381.5 g/mol |
| Molecular Formula | C85H60N10O10 |
| Exact Mass | 1380.449388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GhRj2D1nwvs |
|---|---|
| Name | 4,6,16,18,28,30,40,42,52,54-DECAAZA-11,23,35,47,59-PENTAMETHYL-5,17,29,41,53-PENTAPHENYL-2,8,14,20,26,32,38,44,50,56-DECAOXACALIX-[10]-ARENE |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C85H60N10O10 |
| InChI | InChI=1S/C85H60N10O10/c1-51-31-61-41-62(32-51)97-72-47-74(89-82(87-72)57-23-13-7-14-24-57)99-64-34-53(3)36-66(43-64)101-76-49-78(93-84(91-76)59-27-17-9-18-28-59)103-68-38-55(5)40-70(45-68)105-80-50-79(94-85(95-80)60-29-19-10-20-30-60)104-69-39-54(4)37-67(44-69)102-77-48-75(90-83(92-77)58-25-15-8-16-26-58)100-65-35-52(2)33-63(42-65)98-73-46-71(96-61)86-81(88-73)56-21-11-6-12-22-56/h6-50H,1-5H3 |
| InChIKey | OFPDMIMQNYACMM-UHFFFAOYSA-N |
| Literature Reference Author | W.MAES,W.V.ROSSOM,K.V.HECKE,L.V.MEERVELT,W.DEHAEN |
| Literature Reference Citation | ORG.LETTERS,8,4161(2006) |
| Literature Reference DOI | 10.1021/ol0617446 |
| Molecular Weight | 1381.472 g/mol |
| Sample ID | 61705 |
| Solvent | CDCl3 |