| SpectraBase Compound ID | 63aBE5jQjj8 |
|---|---|
| InChI | InChI=1S/C29H40FN3O9S/c1-5-7-14-8-20(27(39)31-21(13(3)34)26-24(37)23(36)25(38)29(42-26)43-4)33(11-14)19-10-18-15(9-17(19)30)22(35)16(28(40)41)12-32(18)6-2/h9-10,12-14,20-21,23-26,29,34,36-38H,5-8,11H2,1-4H3,(H,31,39)(H,40,41)/t13?,14-,20+,21?,23-,24+,25+,26+,29+/m0/s1 |
| InChIKey | WNHHIAVUDFSTTB-FDKXHWNNSA-N |
| Mol Weight | 625.7 g/mol |
| Molecular Formula | C29H40FN3O9S |
| Exact Mass | 625.246929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1elSYzJGkB |
|---|---|
| Name | WNHHIAVUDFSTTB-FDKXHWNNSA-N |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40FN3O9S |
| InChI | InChI=1S/C29H40FN3O9S/c1-5-7-14-8-20(27(39)31-21(13(3)34)26-24(37)23(36)25(38)29(42-26)43-4)33(11-14)19-10-18-15(9-17(19)30)22(35)16(28(40)41)12-32(18)6-2/h9-10,12-14,20-21,23-26,29,34,36-38H,5-8,11H2,1-4H3,(H,31,39)(H,40,41)/t13?,14-,20+,21?,23-,24+,25+,26+,29+/m0/s1 |
| InChIKey | WNHHIAVUDFSTTB-FDKXHWNNSA-N |
| Literature Reference Author | S.DELOISY,A.OLESKER,G.LUKACS |
| Literature Reference Citation | HETEROCYCLES,41,259(1995) |
| Literature Reference DOI | 10.3987/COM-94-6831 |
| Molecular Weight | 625.710 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP4534 |