![#1;5,11,17,23-TETRAGUANIDINIUM-25,27-BIS-(2-ETHOXYETHOXY)-26,28-BIS-(2-(2-(2-(2-(ADAMANTYL-1-OXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-CALIX-[4]-ARENE-TETRAACETATE](/api/spectrum/DlOM0THZPyz/structure.png?h=300&w=458 "#1;5,11,17,23-TETRAGUANIDINIUM-25,27-BIS-(2-ETHOXYETHOXY)-26,28-BIS-(2-(2-(2-(2-(ADAMANTYL-1-OXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-CALIX-[4]-ARENE-TETRAACETATE")
| SpectraBase Compound ID | Hcoy5jSJ0Uc |
|---|---|
| InChI | InChI=1S/C76H112N12O14.4C2H4O2/c1-3-89-13-19-97-67-55-31-59-39-65(87-73(81)82)41-61(69(59)99-21-15-93-9-5-91-7-11-95-17-23-101-75-43-49-25-50(44-75)27-51(26-49)45-75)33-57-37-64(86-72(79)80)38-58(68(57)98-20-14-90-4-2)34-62-42-66(88-74(83)84)40-60(32-56(67)36-63(35-55)85-71(77)78)70(62)100-22-16-94-10-6-92-8-12-96-18-24-102-76-46-52-28-53(47-76)30-54(29-52)48-76;4*1-2(3)4/h35-42,49-54H,3-34,43-48H2,1-2H3,(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88);4*1H3,(H,3,4)/t49-,50+,51-,52-,53+,54-,75-,76-;;;; |
| InChIKey | SVWPKQKPSOFNPY-PWWRFLLXSA-N |
| Mol Weight | 1658.01 g/mol |
| Molecular Formula | C84H128N12O22 |
| Exact Mass | 1656.926614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DlOM0THZPyz |
|---|---|
| Name | #1;5,11,17,23-TETRAGUANIDINIUM-25,27-BIS-(2-ETHOXYETHOXY)-26,28-BIS-(2-(2-(2-(2-(ADAMANTYL-1-OXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-CALIX-[4]-ARENE-TETRAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H128N12O22 |
| InChI | InChI=1S/C76H112N12O14.4C2H4O2/c1-3-89-13-19-97-67-55-31-59-39-65(87-73(81)82)41-61(69(59)99-21-15-93-9-5-91-7-11-95-17-23-101-75-43-49-25-50(44-75)27-51(26-49)45-75)33-57-37-64(86-72(79)80)38-58(68(57)98-20-14-90-4-2)34-62-42-66(88-74(83)84)40-60(32-56(67)36-63(35-55)85-71(77)78)70(62)100-22-16-94-10-6-92-8-12-96-18-24-102-76-46-52-28-53(47-76)30-54(29-52)48-76;4*1-2(3)4/h35-42,49-54H,3-34,43-48H2,1-2H3,(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88);4*1H3,(H,3,4)/t49-,50+,51-,52-,53+,54-,75-,76-;;;; |
| InChIKey | SVWPKQKPSOFNPY-PWWRFLLXSA-N |
| Literature Reference Author | A.MULDER,T.AULETTA,A.SARTORI,S.DELCIOTTO,A.CASNATI,R.UNGARO, J.HUSKENS,D.N.REINHO |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,6627(2004) |
| Literature Reference DOI | 10.1021/ja0317168 |
| Molecular Weight | 1658.008 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ24507 |