| SpectraBase Compound ID | 8zxx9oK9GO7 |
|---|---|
| InChI | InChI=1S/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13+,14+,15+,16-,20+/m1/s1 |
| InChIKey | HMHQWJDFNVJCHA-JIZYSWCOSA-N |
| Mol Weight | 641.6 g/mol |
| Molecular Formula | C26H35N5O12S |
| Exact Mass | 641.200293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlUDBFh5Ff6 |
|---|---|
| Name | CYClOTHIALIDINE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H35N5O12S |
| InChI | InChI=1S/C26H35N5O12S/c1-10-17(34)5-18(35)12-8-44-9-15(22(37)28-11(2)25(40)41)30-21(36)14(7-43-26(42)19(10)12)29-23(38)20-16(33)3-4-31(20)24(39)13(27)6-32/h5,11,13-16,20,32-35H,3-4,6-9,27H2,1-2H3,(H,28,37)(H,29,38)(H,30,36)(H,40,41)/t11-,13+,14+,15+,16-,20+/m1/s1 |
| InChIKey | HMHQWJDFNVJCHA-JIZYSWCOSA-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 | 641.650 g/mol |
| Solvent | D2O |
| Source File Reference | UWGE2947 |