| SpectraBase Compound ID | Gsw2UPVfXrH |
|---|---|
| InChI | InChI=1S/C53H43N5O8Se/c1-32-48(59)58-45-27-15-13-25-41(45)53(50(58)57(32)52(62)64-29-33-16-4-2-5-17-33)28-43(49(60)66-53)55-46-39-24-12-14-26-42(39)54-47(65-46)44(31-67-34-18-6-3-7-19-34)56-51(61)63-30-40-37-22-10-8-20-35(37)36-21-9-11-23-38(36)40/h2-27,32,40,43-44,50H,28-31H2,1H3,(H,56,61)/b55-46-/t32-,43+,44-,50-,53-/m0/s1 |
| InChIKey | DNATYXILJCHOJK-PQILKZJVSA-N |
| Mol Weight | 956.9 g/mol |
| Molecular Formula | C53H43N5O8Se |
| Exact Mass | 957.227685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1IqNFpPxOr |
|---|---|
| Name | DNATYXILJCHOJK-PQILKZJVSA-N |
| Compound Number | 57 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H43N5O8Se |
| InChI | InChI=1S/C53H43N5O8Se/c1-32-48(59)58-45-27-15-13-25-41(45)53(50(58)57(32)52(62)64-29-33-16-4-2-5-17-33)28-43(49(60)66-53)55-46-39-24-12-14-26-42(39)54-47(65-46)44(31-67-34-18-6-3-7-19-34)56-51(61)63-30-40-37-22-10-8-20-35(37)36-21-9-11-23-38(36)40/h2-27,32,40,43-44,50H,28-31H2,1H3,(H,56,61)/b55-46-/t32-,43+,44-,50-,53-/m0/s1 |
| InChIKey | DNATYXILJCHOJK-PQILKZJVSA-N |
| Literature Reference Author | B.B.SNIDER,H.ZENG |
| Literature Reference Citation | J.ORG.CHEM.,68,545(2003) |
| Literature Reference DOI | 10.1021/jo0264980 |
| Molecular Weight | 956.913 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25437 |