![11-(N-CARBOBENZOXY-L-ALANYL-L-ALANYL)-AMINO-23-(METHOXY-L-ALANYL-L-ALANYL)-CARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE](/api/spectrum/7EZaBSMYnHF/structure.png?h=300&w=458 "11-(N-CARBOBENZOXY-L-ALANYL-L-ALANYL)-AMINO-23-(METHOXY-L-ALANYL-L-ALANYL)-CARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE")
| SpectraBase Compound ID | 7yQQMCJGbse |
|---|---|
| InChI | InChI=1S/C56H65N5O12/c1-8-21-71-49-37-17-13-19-39(49)25-43-29-46(61-53(66)33(4)57-52(65)34(5)60-56(69)73-31-36-15-11-10-12-16-36)30-44(48(43)63)26-40-20-14-18-38(50(40)72-22-9-2)24-42-28-45(27-41(23-37)47(42)62)54(67)58-32(3)51(64)59-35(6)55(68)70-7/h10-20,27-30,32-35,62-63H,8-9,21-26,31H2,1-7H3,(H,57,65)(H,58,67)(H,59,64)(H,60,69)(H,61,66)/t32-,33+,34+,35-/m1/s1 |
| InChIKey | BSVIELVNFWQQEL-HDBFZYDSSA-N |
| Mol Weight | 1000.2 g/mol |
| Molecular Formula | C56H65N5O12 |
| Exact Mass | 999.462973 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7EZaBSMYnHF |
|---|---|
| Name | 11-(N-CARBOBENZOXY-L-ALANYL-L-ALANYL)-AMINO-23-(METHOXY-L-ALANYL-L-ALANYL)-CARBONYL-25,27-DIHYDROXY-26,28-DIPROPOXYCALIX-[4]-ARENE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H65N5O12 |
| InChI | InChI=1S/C56H65N5O12/c1-8-21-71-49-37-17-13-19-39(49)25-43-29-46(61-53(66)33(4)57-52(65)34(5)60-56(69)73-31-36-15-11-10-12-16-36)30-44(48(43)63)26-40-20-14-18-38(50(40)72-22-9-2)24-42-28-45(27-41(23-37)47(42)62)54(67)58-32(3)51(64)59-35(6)55(68)70-7/h10-20,27-30,32-35,62-63H,8-9,21-26,31H2,1-7H3,(H,57,65)(H,58,67)(H,59,64)(H,60,69)(H,61,66)/t32-,33+,34+,35-/m1/s1 |
| InChIKey | BSVIELVNFWQQEL-HDBFZYDSSA-N |
| Literature Reference Author | F.SANSONE,L.BALDINI,A.CASNATI,E.CHIERICI,G.FAIMANI,F.UGOZZOL I,R.UNGARO |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,6204(2004) |
| Literature Reference DOI | 10.1021/ja031511z |
| Molecular Weight | 1000.158 g/mol |
| Sample ID | 36906 |
| Solvent | CDCl3 |