| SpectraBase Compound ID | AF4W4nGiaGG |
|---|---|
| InChI | InChI=1S/C57H49NO5/c1-27(59)62-55-52-48-25-46(42-21-38-34-19-36(40(38)23-44(42)48)32-11-7-5-9-30(32)34)50(52)54(61-18-17-28-13-15-29(16-14-28)58-56(60)63-57(2,3)4)51-47-26-49(53(51)55)45-24-41-37-20-35(39(41)22-43(45)47)31-10-6-8-12-33(31)37/h5-16,21-24,34-37,46-49H,17-20,25-26H2,1-4H3,(H,58,60)/t34-,35+,36+,37-,46-,47+,48+,49- |
| InChIKey | JOSXVCBVLAODEK-QKIULJCFSA-N |
| Mol Weight | 828.0 g/mol |
| Molecular Formula | C57H49NO5 |
| Exact Mass | 827.361074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9d7L9PO9r8u |
|---|---|
| Name | JOSXVCBVLAODEK-QKIULJCFSA-N |
| Compound Number | 9B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H49NO5 |
| InChI | InChI=1S/C57H49NO5/c1-27(59)62-55-52-48-25-46(42-21-38-34-19-36(40(38)23-44(42)48)32-11-7-5-9-30(32)34)50(52)54(61-18-17-28-13-15-29(16-14-28)58-56(60)63-57(2,3)4)51-47-26-49(53(51)55)45-24-41-37-20-35(39(41)22-43(45)47)31-10-6-8-12-33(31)37/h5-16,21-24,34-37,46-49H,17-20,25-26H2,1-4H3,(H,58,60)/t34-,35+,36+,37-,46-,47+,48+,49- |
| InChIKey | JOSXVCBVLAODEK-QKIULJCFSA-N |
| Literature Reference Author | T.GERSTHAGEN,J.HOFMANN,F.G.KLAERNER,C.SCHMUCK,T.SCHRADER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,1080(2013) |
| Literature Reference DOI | 10.1002/ejoc.201201052 |
| Molecular Weight | 828.020 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT20611 |