| SpectraBase Compound ID | 9VITazcZ69 |
|---|---|
| InChI | InChI=1S/C28H36N2O7/c1-4-5-10-18(2)15-19(3)27(36)29-20-17-28(37,24(34)16-23(20)33)14-9-7-6-8-11-25(35)30-26-21(31)12-13-22(26)32/h6-9,11,14-15,17-18,24,31,34,37H,4-5,10,12-13,16H2,1-3H3,(H,29,36)(H,30,35)/b7-6+,11-8+,14-9+,19-15+/t18?,24-,28+/m0/s1 |
| InChIKey | CCZRQXWCDVXNHR-SCXJJPMPSA-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 | HHafcpmE0YI |
|---|---|
| Name | TMC-1-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36N2O7 |
| InChI | InChI=1S/C28H36N2O7/c1-4-5-10-18(2)15-19(3)27(36)29-20-17-28(37,24(34)16-23(20)33)14-9-7-6-8-11-25(35)30-26-21(31)12-13-22(26)32/h6-9,11,14-15,17-18,24,31,34,37H,4-5,10,12-13,16H2,1-3H3,(H,29,36)(H,30,35)/b7-6+,11-8+,14-9+,19-15+/t18?,24-,28+/m0/s1 |
| InChIKey | CCZRQXWCDVXNHR-SCXJJPMPSA-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 | UWMP27 |