| SpectraBase Compound ID | E5NQosYf0t2 |
|---|---|
| InChI | InChI=1S/C24H31N5O11S/c1-10(25)23(38)29-3-2-16(31)19(29)22(37)27-14-7-40-24(39)12-4-11(30)5-17(32)13(12)8-41-9-15(28-21(14)36)20(35)26-6-18(33)34/h4-5,10,14-16,19,30-32H,2-3,6-9,25H2,1H3,(H,26,35)(H,27,37)(H,28,36)(H,33,34)/t10-,14+,15+,16-,19+/m1/s1 |
| InChIKey | QGZCMTZWELAYOU-URQGQHQQSA-N |
| Mol Weight | 597.6 g/mol |
| Molecular Formula | C24H31N5O11S |
| Exact Mass | 597.174078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpbKEeYQrm9 |
|---|---|
| Name | CYClOTHIALIDINE-D |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H31N5O11S |
| InChI | InChI=1S/C24H31N5O11S/c1-10(25)23(38)29-3-2-16(31)19(29)22(37)27-14-7-40-24(39)12-4-11(30)5-17(32)13(12)8-41-9-15(28-21(14)36)20(35)26-6-18(33)34/h4-5,10,14-16,19,30-32H,2-3,6-9,25H2,1H3,(H,26,35)(H,27,37)(H,28,36)(H,33,34)/t10-,14+,15+,16-,19+/m1/s1 |
| InChIKey | QGZCMTZWELAYOU-URQGQHQQSA-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 | 597.597 g/mol |
| Solvent | D2O |
| Source File Reference | UWGE2945 |