| SpectraBase Compound ID | 5n63oR2gUDS |
|---|---|
| InChI | InChI=1S/C35H48N2O7/c1-24-31(39)18-13-12-14-26-20-28(22-29(38)21-26)37-33(40)23-30(43-3)17-10-5-4-6-11-19-32(24)44-35(42)25(2)36-34(41)27-15-8-7-9-16-27/h4-6,10-11,13,17-18,20-22,24-25,27,30-32,38-39H,7-9,12,14-16,19,23H2,1-3H3,(H,36,41)(H,37,40)/b5-4+,11-6+,17-10+,18-13- |
| InChIKey | UUPVWYRDLWIRLV-CRJRSOJTSA-N |
| Mol Weight | 608.8 g/mol |
| Molecular Formula | C35H48N2O7 |
| Exact Mass | 608.346152 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J9GS04Pdy8S |
|---|---|
| Name | DEMETHYLTRIENOMYCIN_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H48N2O7 |
| InChI | InChI=1S/C35H48N2O7/c1-24-31(39)18-13-12-14-26-20-28(22-29(38)21-26)37-33(40)23-30(43-3)17-10-5-4-6-11-19-32(24)44-35(42)25(2)36-34(41)27-15-8-7-9-16-27/h4-6,10-11,13,17-18,20-22,24-25,27,30-32,38-39H,7-9,12,14-16,19,23H2,1-3H3,(H,36,41)(H,37,40)/b5-4+,11-6+,17-10+,18-13- |
| InChIKey | UUPVWYRDLWIRLV-CRJRSOJTSA-N |
| Literature Reference Author | T.KAWAMURA,E.TASHIRO,K.YAMAMOTO,K.SHINDO,M.IMOTO |
| Literature Reference Citation | J.ANTIBIOTICS,61,303(2008) |
| Literature Reference DOI | 10.1038/ja.2008.43 |
| Molecular Weight | 608.775 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB158 |