| SpectraBase Compound ID | 48fJ0ZBSrsf |
|---|---|
| InChI | InChI=1S/C63H53N5O8Se/c1-37(2)32-55-58(69)67-54-31-17-15-29-50(54)63(60(67)68(55)62(72)74-35-49-45-26-12-8-22-41(45)42-23-9-13-27-46(42)49)33-52(59(70)76-63)65-56-47-28-14-16-30-51(47)64-57(75-56)53(36-77-38-18-4-3-5-19-38)66-61(71)73-34-48-43-24-10-6-20-39(43)40-21-7-11-25-44(40)48/h3-31,37,48-49,52-53,55,60H,32-36H2,1-2H3,(H,66,71)/b65-56-/t52-,53+,55+,60+,63-/m1/s1 |
| InChIKey | CEHAEDYMCINLQS-UTESWYKVSA-N |
| Mol Weight | 1087.1 g/mol |
| Molecular Formula | C63H53N5O8Se |
| Exact Mass | 1087.305936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IP5gj0H5U5H |
|---|---|
| Name | MAJOR-ROTAMER |
| Compound Number | 67B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H53N5O8Se |
| InChI | InChI=1S/C63H53N5O8Se/c1-37(2)32-55-58(69)67-54-31-17-15-29-50(54)63(60(67)68(55)62(72)74-35-49-45-26-12-8-22-41(45)42-23-9-13-27-46(42)49)33-52(59(70)76-63)65-56-47-28-14-16-30-51(47)64-57(75-56)53(36-77-38-18-4-3-5-19-38)66-61(71)73-34-48-43-24-10-6-20-39(43)40-21-7-11-25-44(40)48/h3-31,37,48-49,52-53,55,60H,32-36H2,1-2H3,(H,66,71)/b65-56-/t52-,53+,55+,60+,63-/m1/s1 |
| InChIKey | CEHAEDYMCINLQS-UTESWYKVSA-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 | 1087.103 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25445 |