![(+)-N-[(3-R,4-R)-HEXAHYDRO-4-HYDROXY-1-(PHENYLMETHYL)-1-H-AZEPIN-3-YL]-4-(PHENYLMETHOXY)-BENZAMIDE_MOSHER'S_ESTER;MINOR_ISOMER](/api/spectrum/DgkgeigJp1E/structure.png?h=300&w=458 "(+)-N-[(3-R,4-R)-HEXAHYDRO-4-HYDROXY-1-(PHENYLMETHYL)-1-H-AZEPIN-3-YL]-4-(PHENYLMETHOXY)-BENZAMIDE_MOSHER'S_ESTER;MINOR_ISOMER")
| SpectraBase Compound ID | 3lPlMi97Qjr |
|---|---|
| InChI | InChI=1S/C37H37F3N2O5/c1-45-36(37(38,39)40,30-16-9-4-10-17-30)35(44)47-33-18-11-23-42(24-27-12-5-2-6-13-27)25-32(33)41-34(43)29-19-21-31(22-20-29)46-26-28-14-7-3-8-15-28/h2-10,12-17,19-22,32-33H,11,18,23-26H2,1H3,(H,41,43)/t32-,33-,36-/m1/s1 |
| InChIKey | RIMUYTVVQXZGFS-KIGLDFBWSA-N |
| Mol Weight | 646.7 g/mol |
| Molecular Formula | C37H37F3N2O5 |
| Exact Mass | 646.265457 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgkgeigJp1E |
|---|---|
| Name | (+)-N-[(3-R,4-R)-HEXAHYDRO-4-HYDROXY-1-(PHENYLMETHYL)-1-H-AZEPIN-3-YL]-4-(PHENYLMETHOXY)-BENZAMIDE_MOSHER'S_ESTER;MINOR_ISOMER |
| Compound Number | 25B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H37F3N2O5 |
| InChI | InChI=1S/C37H37F3N2O5/c1-45-36(37(38,39)40,30-16-9-4-10-17-30)35(44)47-33-18-11-23-42(24-27-12-5-2-6-13-27)25-32(33)41-34(43)29-19-21-31(22-20-29)46-26-28-14-7-3-8-15-28/h2-10,12-17,19-22,32-33H,11,18,23-26H2,1H3,(H,41,43)/t32-,33-,36-/m1/s1 |
| InChIKey | RIMUYTVVQXZGFS-KIGLDFBWSA-N |
| Literature Reference Author | B.SULLIVAN,J.GILMET,H.LEISCH,T.HUDLICKY |
| Literature Reference Citation | J.NAT.PROD.,71,346(2008) |
| Literature Reference DOI | 10.1021/np0705357 |
| Solvent | CDCl3 |
| Source File Reference | UWMZ27121 |