| SpectraBase Compound ID | HSRijepFUEo |
|---|---|
| InChI | InChI=1S/C35H42F3N3O8S/c1-3-16-34(17-15-23-9-6-5-7-10-23)30(31(45)40-33(20-42,21-43)22-44)29(32(46)49-34)27(4-2)24-11-8-12-26(18-24)41-50(47,48)28-14-13-25(19-39-28)35(36,37)38/h5-14,18-19,27,29-30,41-44H,3-4,15-17,20-22H2,1-2H3,(H,40,45)/t27-,29?,30?,34-/m1/s1 |
| InChIKey | PQMQBIIQUBLHMP-YABRCVSVSA-N |
| Mol Weight | 721.8 g/mol |
| Molecular Formula | C35H42F3N3O8S |
| Exact Mass | 721.264471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Py07jsy1HR |
|---|---|
| Name | MAJOR-DIASTEREOMER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H42F3N3O8S |
| InChI | InChI=1S/C35H42F3N3O8S/c1-3-16-34(17-15-23-9-6-5-7-10-23)30(31(45)40-33(20-42,21-43)22-44)29(32(46)49-34)27(4-2)24-11-8-12-26(18-24)41-50(47,48)28-14-13-25(19-39-28)35(36,37)38/h5-14,18-19,27,29-30,41-44H,3-4,15-17,20-22H2,1-2H3,(H,40,45)/t27-,29?,30?,34-/m1/s1 |
| InChIKey | PQMQBIIQUBLHMP-YABRCVSVSA-N |
| Literature Reference Author | C.A.BUSACCA,S.CAMPBELL,A.SAHA,J.C.LORENZ,K.GROZINGER,P.J.JON ES,N.GRINBERG,S.SHEN |
| Literature Reference Citation | MAGN.RES.CHEM.,43,1032(2005) |
| Literature Reference DOI | 10.1002/mrc.1672 |
| Molecular Weight | 721.789 g/mol |
| Solvent | DMSO |
| Source File Reference | UWLU36500 |