| SpectraBase Compound ID | 1wlHYq0uzdR |
|---|---|
| InChI | InChI=1S/C36H46N2O12/c1-8-20(4)29-34(45)47-21(5)26(38-31(42)23-15-12-16-24(27(23)40)37-18-39)32(43)49-28(19(2)3)33(44)48-25(17-22-13-10-9-11-14-22)30(41)36(6,7)35(46)50-29/h9-16,18-21,25-26,28-30,40-41H,8,17H2,1-7H3,(H,37,39)(H,38,42)/t20?,21?,25-,26?,28-,29-,30+/m1/s1 |
| InChIKey | JIJATTFJYJZEBT-OWHQKMKGSA-N |
| Mol Weight | 698.8 g/mol |
| Molecular Formula | C36H46N2O12 |
| Exact Mass | 698.305075 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pw5VIwCKFR |
|---|---|
| Name | NEOANTIMYCIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H46N2O12 |
| InChI | InChI=1S/C36H46N2O12/c1-8-20(4)29-34(45)47-21(5)26(38-31(42)23-15-12-16-24(27(23)40)37-18-39)32(43)49-28(19(2)3)33(44)48-25(17-22-13-10-9-11-14-22)30(41)36(6,7)35(46)50-29/h9-16,18-21,25-26,28-30,40-41H,8,17H2,1-7H3,(H,37,39)(H,38,42)/t20?,21?,25-,26?,28-,29-,30+/m1/s1 |
| InChIKey | JIJATTFJYJZEBT-OWHQKMKGSA-N |
| Literature Reference Author | Y.TAKEDA,T.MASUDA,T.MATSUMOTO,Y.TAKECHI,T.SHINGU,H.G.FLOSS |
| Literature Reference Citation | J.NAT.PROD.,61,978(1998) |
| Literature Reference DOI | 10.1021/np9800194 |
| Molecular Weight | 698.767 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK3413 |