| SpectraBase Compound ID | 4E4uUDg5StF |
|---|---|
| InChI | InChI=1S/C37H60N6O7S/c1-13-36(9,10)49-22(7)28-32(46)38-24(18-20(3)4)34-39-25(19-51-34)30(44)41-29(23(8)50-37(11,12)14-2)33(47)40-27(21(5)6)35(48)43-17-15-16-26(43)31(45)42-28/h13-14,20-29H,1-2,15-19H2,3-12H3,(H,38,46)(H,40,47)(H,41,44)(H,42,45)/t22-,23-,24+,25-,26+,27+,28+,29+/m1/s1 |
| InChIKey | PXBQBGADJRIZRZ-GRPGLRQDSA-N |
| Mol Weight | 733.0 g/mol |
| Molecular Formula | C37H60N6O7S |
| Exact Mass | 732.424419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmDXuG4zztQ |
|---|---|
| Name | PATTELIN-2;MAJOR-CONFORMER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H60N6O7S |
| InChI | InChI=1S/C37H60N6O7S/c1-13-36(9,10)49-22(7)28-32(46)38-24(18-20(3)4)34-39-25(19-51-34)30(44)41-29(23(8)50-37(11,12)14-2)33(47)40-27(21(5)6)35(48)43-17-15-16-26(43)31(45)42-28/h13-14,20-29H,1-2,15-19H2,3-12H3,(H,38,46)(H,40,47)(H,41,44)(H,42,45)/t22-,23-,24+,25-,26+,27+,28+,29+/m1/s1 |
| InChIKey | PXBQBGADJRIZRZ-GRPGLRQDSA-N |
| Literature Reference Author | T.M.ZABRISKIE,M.P.FOSTER,T.J.STOUT,J.CLARDY,C.M.IRELAND |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,8080(1990) |
| Literature Reference DOI | 10.1021/ja00178a035 |
| Molecular Weight | 732.979 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWSI1054 |