| SpectraBase Compound ID | B9C3kXNUhbe |
|---|---|
| InChI | InChI=1S/C23H26N2O8/c1-31-25-12-4-8-19(29)24-11-3-6-15-13-18(28)22-21(33-22)17(27)10-9-14-5-2-7-16(26)20(14)23(30)32-15/h2-5,7-12,15,17-18,21-22,26-28H,6,13H2,1H3,(H,24,29)/b8-4+,10-9-,11-3+,25-12+/t15?,17?,18?,21-,22+/m1/s1 |
| InChIKey | WMEKNEKHVSSIHM-YNKHCXEPSA-N |
| Mol Weight | 458.47 g/mol |
| Molecular Formula | C23H26N2O8 |
| Exact Mass | 458.168916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5z2Iu6GGfa |
|---|---|
| Name | CJ-12,950 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H26N2O8 |
| InChI | InChI=1S/C23H26N2O8/c1-31-25-12-4-8-19(29)24-11-3-6-15-13-18(28)22-21(33-22)17(27)10-9-14-5-2-7-16(26)20(14)23(30)32-15/h2-5,7-12,15,17-18,21-22,26-28H,6,13H2,1H3,(H,24,29)/b8-4+,10-9-,11-3+,25-12+/t15?,17?,18?,21-,22+/m1/s1 |
| InChIKey | WMEKNEKHVSSIHM-YNKHCXEPSA-N |
| Literature Reference Author | K.A.DEKKER,R.J.AIELLO,H.HIRAI,T.INAGAKI,T.SAKAKIBARA,Y.SUZUK I,J.F.THOMPSON,Y.YAM |
| Literature Reference Citation | J.ANTIBIOTICS,51,14(1998) |
| Literature Reference DOI | 10.7164/antibiotics.51.14 |
| Molecular Weight | 458.468 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWGE1700 |