![#3-OTF;[4-TERT.-BUTYL-2,6-BIS-[(3-R,6-R,7A-S)-6-METHOXY-2-PHENYLHEXAHYDRO-1H-PYRROLO-[1,2-C]-IMIDAZOLE-1-ON-3-YL]-PHENYL]-(TRIFLUOROMETHANESULFONATO)-PA](/api/spectrum/4jE0aHrAfjN/structure.png?h=300&w=458 "#3-OTF;[4-TERT.-BUTYL-2,6-BIS-[(3-R,6-R,7A-S)-6-METHOXY-2-PHENYLHEXAHYDRO-1H-PYRROLO-[1,2-C]-IMIDAZOLE-1-ON-3-YL]-PHENYL]-(TRIFLUOROMETHANESULFONATO)-PA")
| SpectraBase Compound ID | EpGfJxXUdVb |
|---|---|
| InChI | InChI=1S/C36H41N4O4.CHF3O3S.Pd/c1-36(2,3)25-17-23(32-37-21-28(43-4)19-30(37)34(41)39(32)26-12-8-6-9-13-26)16-24(18-25)33-38-22-29(44-5)20-31(38)35(42)40(33)27-14-10-7-11-15-27;2-1(3,4)8(5,6)7;/h6-15,17-18,28-33H,19-22H2,1-5H3;(H,5,6,7);/q;;+1/p-1/t28-,29-,30+,31+,32-,33-;;/m1../s1 |
| InChIKey | VGVUGEPSROIZPH-UBPJWJAPSA-M |
| Mol Weight | 849.2 g/mol |
| Molecular Formula | C37H41F3N4O7PdS |
| Exact Mass | 848.168285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jE0aHrAfjN |
|---|---|
| Name | #3-OTF;[4-TERT.-BUTYL-2,6-BIS-[(3-R,6-R,7A-S)-6-METHOXY-2-PHENYLHEXAHYDRO-1H-PYRROLO-[1,2-C]-IMIDAZOLE-1-ON-3-YL]-PHENYL]-(TRIFLUOROMETHANESULFONATO)-PA |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H41F3N4O7PdS |
| InChI | InChI=1S/C36H41N4O4.CHF3O3S.Pd/c1-36(2,3)25-17-23(32-37-21-28(43-4)19-30(37)34(41)39(32)26-12-8-6-9-13-26)16-24(18-25)33-38-22-29(44-5)20-31(38)35(42)40(33)27-14-10-7-11-15-27;2-1(3,4)8(5,6)7;/h6-15,17-18,28-33H,19-22H2,1-5H3;(H,5,6,7);/q;;+1/p-1/t28-,29-,30+,31+,32-,33-;;/m1../s1 |
| InChIKey | VGVUGEPSROIZPH-UBPJWJAPSA-M |
| Literature Reference Author | K.TAKENAKA,Y.UOZUMI |
| Literature Reference Citation | ORG.LETTERS,6,1833(2004) |
| Literature Reference DOI | 10.1021/ol0494515 |
| Molecular Weight | 849.230 g/mol |
| Sample ID | 38758 |
| Solvent | CDCl3 |