| SpectraBase Compound ID | LSYL3M8mHS6 |
|---|---|
| InChI | InChI=1S/C26H35N5O11S/c1-10-17(33)6-18(34)13-8-43-9-15(22(36)28-12(3)25(39)40)30-21(35)14(7-42-26(41)19(10)13)29-23(37)20-16(32)4-5-31(20)24(38)11(2)27/h6,11-12,14-16,20,32-34H,4-5,7-9,27H2,1-3H3,(H,28,36)(H,29,37)(H,30,35)(H,39,40)/t11-,12-,14+,15+,16-,20+/m1/s1 |
| InChIKey | FSQBBUCGXSRLHM-SSPRWPFTSA-N |
| Mol Weight | 625.7 g/mol |
| Molecular Formula | C26H35N5O11S |
| Exact Mass | 625.205378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJiDRS89glf |
|---|---|
| Name | CYClOTHIALIDINE-D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H35N5O11S |
| InChI | InChI=1S/C26H35N5O11S/c1-10-17(33)6-18(34)13-8-43-9-15(22(36)28-12(3)25(39)40)30-21(35)14(7-42-26(41)19(10)13)29-23(37)20-16(32)4-5-31(20)24(38)11(2)27/h6,11-12,14-16,20,32-34H,4-5,7-9,27H2,1-3H3,(H,28,36)(H,29,37)(H,30,35)(H,39,40)/t11-,12-,14+,15+,16-,20+/m1/s1 |
| InChIKey | FSQBBUCGXSRLHM-SSPRWPFTSA-N |
| Literature Reference Author | K.YAMAJI,M.MASUBUCHI,F.KAWAHARA,Y.NAKAMURA,A.NISHIO,S.MATSUK UMA,M.FUJIMORI,N.NAK |
| Literature Reference Citation | J.ANTIBIOTICS,50,402(1997) |
| Literature Reference DOI | 10.7164/antibiotics.50.402 |
| Molecular Weight | 625.651 g/mol |
| Solvent | D2O |
| Source File Reference | UWGE2944 |