| SpectraBase Compound ID | E2JFoDqjQMX |
|---|---|
| InChI | InChI=1S/C21H36N4O9/c1-9(2)6-13(16(29)21(7-26)8-34-21)23-19(32)14(11(4)27)25-20(33)15(12(5)28)24-18(31)10(3)17(22)30/h9-15,26-28H,6-8H2,1-5H3,(H2,22,30)(H,23,32)(H,24,31)(H,25,33)/t10?,11?,12?,13?,14-,15-,21?/m0/s1 |
| InChIKey | SCVCWUHUBWSKHS-BDVHJXJCSA-N |
| Mol Weight | 488.5 g/mol |
| Molecular Formula | C21H36N4O9 |
| Exact Mass | 488.248229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LgPYYS80nBz |
|---|---|
| Name | TMC-89-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36N4O9 |
| InChI | InChI=1S/C21H36N4O9/c1-9(2)6-13(16(29)21(7-26)8-34-21)23-19(32)14(11(4)27)25-20(33)15(12(5)28)24-18(31)10(3)17(22)30/h9-15,26-28H,6-8H2,1-5H3,(H2,22,30)(H,23,32)(H,24,31)(H,25,33)/t10?,11?,12?,13?,14-,15-,21?/m0/s1 |
| InChIKey | SCVCWUHUBWSKHS-BDVHJXJCSA-N |
| Literature Reference Author | Y.KOGUCHI,M.NISHIO,S.I.SUZUKI,K.TAKAHASHI,T.OHNUKI,S.KOMATSU BARA |
| Literature Reference Citation | J.ANTIBIOTICS,53,967(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.967 |
| Molecular Weight | 488.538 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU7278 |