![#4;N,N'-[[[2-[3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXYL]-BENZAMIDO]-ETHYL]-AZANE-DIYL]-BIS-(ETHANE-2,1-DIYL)]-BIS-[4-ALPHA-D-MAN](/api/spectrum/HKC8K3sdkfR/structure.png?h=300&w=458 "#4;N,N'-[[[2-[3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXYL]-BENZAMIDO]-ETHYL]-AZANE-DIYL]-BIS-(ETHANE-2,1-DIYL)]-BIS-[4-ALPHA-D-MAN")
| SpectraBase Compound ID | 1cqKjagOqGN |
|---|---|
| InChI | InChI=1S/C69H114N4O25/c74-44-55-59(78)61(80)63(82)66(97-55)93-11-1-3-57(76)70-5-8-73(9-6-71-58(77)4-2-12-94-67-64(83)62(81)60(79)56(45-75)98-67)10-7-72-65(84)52-35-53(91-25-21-87-17-13-85-15-19-89-23-27-95-68-38-46-29-47(39-68)31-48(30-46)40-68)37-54(36-52)92-26-22-88-18-14-86-16-20-90-24-28-96-69-41-49-32-50(42-69)34-51(33-49)43-69/h35-37,46-51,55-56,59-64,66-67,74-75,78-83H,1-34,38-45H2,(H,70,76)(H,71,77)(H,72,84)/t46-,47+,48-,49?,50?,51?,55-,56+,59-,60+,61+,62-,63+,64-,66+,67-,68-,69? |
| InChIKey | FBPHIZJKVFCOAV-YJSALWIASA-N |
| Mol Weight | 1399.7 g/mol |
| Molecular Formula | C69H114N4O25 |
| Exact Mass | 1398.777215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKC8K3sdkfR |
|---|---|
| Name | #4;N,N'-[[[2-[3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXYL]-BENZAMIDO]-ETHYL]-AZANE-DIYL]-BIS-(ETHANE-2,1-DIYL)]-BIS-[4-ALPHA-D-MAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H114N4O25 |
| InChI | InChI=1S/C69H114N4O25/c74-44-55-59(78)61(80)63(82)66(97-55)93-11-1-3-57(76)70-5-8-73(9-6-71-58(77)4-2-12-94-67-64(83)62(81)60(79)56(45-75)98-67)10-7-72-65(84)52-35-53(91-25-21-87-17-13-85-15-19-89-23-27-95-68-38-46-29-47(39-68)31-48(30-46)40-68)37-54(36-52)92-26-22-88-18-14-86-16-20-90-24-28-96-69-41-49-32-50(42-69)34-51(33-49)43-69/h35-37,46-51,55-56,59-64,66-67,74-75,78-83H,1-34,38-45H2,(H,70,76)(H,71,77)(H,72,84)/t46-,47+,48-,49?,50?,51?,55-,56+,59-,60+,61+,62-,63+,64-,66+,67-,68-,69? |
| InChIKey | FBPHIZJKVFCOAV-YJSALWIASA-N |
| Literature Reference Author | U.KAUSCHER,B.J.RAVOO |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1543(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.175 |
| Molecular Weight | 1399.676 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR11241 |