SpectraBase Compound ID | BxFKlGUHLma |
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InChI | InChI=1S/C37H42N2O8/c1-24(40)47-34(20-26-13-17-30(18-14-26)46-23-27-11-7-4-8-12-27)35(42)38-31(19-25-9-5-3-6-10-25)36(43)39-32-22-29(41)16-15-28(32)21-33(39)37(44)45-2/h3-14,17-18,28-29,31-34,41H,15-16,19-23H2,1-2H3,(H,38,42)/t28-,29+,31-,32-,33-,34+/m0/s1 |
InChIKey | NPZUIOHYMOGMCE-CYGPSROHSA-N |
Mol Weight | 642.7 g/mol |
Molecular Formula | C37H42N2O8 |
Exact Mass | 642.294116 g/mol |
SpectraBase Spectrum ID | EvTVE6thpxG |
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Name | TRANS-ROTAMER |
Compound Number | 9A |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C37H42N2O8 |
InChI | InChI=1S/C37H42N2O8/c1-24(40)47-34(20-26-13-17-30(18-14-26)46-23-27-11-7-4-8-12-27)35(42)38-31(19-25-9-5-3-6-10-25)36(43)39-32-22-29(41)16-15-28(32)21-33(39)37(44)45-2/h3-14,17-18,28-29,31-34,41H,15-16,19-23H2,1-2H3,(H,38,42)/t28-,29+,31-,32-,33-,34+/m0/s1 |
InChIKey | NPZUIOHYMOGMCE-CYGPSROHSA-N |
Literature Reference Author | N.VALLS,M.VALLRIBERA,M.LOPEZ-CANET,J.BONJOCH |
Literature Reference Citation | J.ORG.CHEM.,67,4945(2002) |
Literature Reference DOI | 10.1021/jo025709y |
Molecular Weight | 642.749 g/mol |
Solvent | CDCl3 |
Source File Reference | UWVN23392 |