| SpectraBase Compound ID | 1gcBgl9epkD |
|---|---|
| InChI | InChI=1S/C28H36N2O7/c1-4-18(2)10-9-11-19(3)27(36)29-20-17-28(37,24(34)16-23(20)33)15-8-6-5-7-12-25(35)30-26-21(31)13-14-22(26)32/h5-8,11-12,15,17-18,24,31,34,37H,4,9-10,13-14,16H2,1-3H3,(H,29,36)(H,30,35)/b6-5+,12-7+,15-8+,19-11+/t18?,24-,28+/m0/s1 |
| InChIKey | LTZQMADYCMVTKI-KORKIULDSA-N |
| Mol Weight | 512.6 g/mol |
| Molecular Formula | C28H36N2O7 |
| Exact Mass | 512.252252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQEwLj2U3hu |
|---|---|
| Name | TMC-1-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36N2O7 |
| InChI | InChI=1S/C28H36N2O7/c1-4-18(2)10-9-11-19(3)27(36)29-20-17-28(37,24(34)16-23(20)33)15-8-6-5-7-12-25(35)30-26-21(31)13-14-22(26)32/h5-8,11-12,15,17-18,24,31,34,37H,4,9-10,13-14,16H2,1-3H3,(H,29,36)(H,30,35)/b6-5+,12-7+,15-8+,19-11+/t18?,24-,28+/m0/s1 |
| InChIKey | LTZQMADYCMVTKI-KORKIULDSA-N |
| Literature Reference Author | J.KOHNO,M.NISHIO,K.KAWANO,N.NAKANISHI,S.I.SUZUKI,T.UCHIDA,S. KOMATSUBARA |
| Literature Reference Citation | J.ANTIBIOTICS,49,1212(1996) |
| Literature Reference DOI | 10.7164/antibiotics.49.1212 |
| Molecular Weight | 512.603 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMP28 |