| SpectraBase Compound ID | C7tXjFIzN2 |
|---|---|
| InChI | InChI=1S/C25H33N5O11S/c1-10(26)23(37)30-4-3-17(32)19(30)22(36)28-15-7-41-25(40)13-5-12(31)6-18(33)14(13)8-42-9-16(29-20(15)34)21(35)27-11(2)24(38)39/h5-6,10-11,15-17,19,31-33H,3-4,7-9,26H2,1-2H3,(H,27,35)(H,28,36)(H,29,34)(H,38,39)/t10-,11-,15+,16+,17-,19+/m1/s1 |
| InChIKey | FYYGQGDAPAQONZ-SJEGLDAVSA-N |
| Mol Weight | 611.6 g/mol |
| Molecular Formula | C25H33N5O11S |
| Exact Mass | 611.189728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2tE4FJ3Gl0R |
|---|---|
| Name | CYClOTHIALIDINE-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H33N5O11S |
| InChI | InChI=1S/C25H33N5O11S/c1-10(26)23(37)30-4-3-17(32)19(30)22(36)28-15-7-41-25(40)13-5-12(31)6-18(33)14(13)8-42-9-16(29-20(15)34)21(35)27-11(2)24(38)39/h5-6,10-11,15-17,19,31-33H,3-4,7-9,26H2,1-2H3,(H,27,35)(H,28,36)(H,29,34)(H,38,39)/t10-,11-,15+,16+,17-,19+/m1/s1 |
| InChIKey | FYYGQGDAPAQONZ-SJEGLDAVSA-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 | 611.624 g/mol |
| Solvent | D2O |
| Source File Reference | UWGE2943 |