| SpectraBase Compound ID | 333eRxQLDjz |
|---|---|
| InChI | InChI=1S/C34H46N2O7/c1-23-12-11-13-25-18-27(20-29(38)19-25)36-32(40)21-28(37)16-9-4-3-5-10-17-30(22-31(23)39)43-34(42)24(2)35-33(41)26-14-7-6-8-15-26/h3-5,9-10,12,16,18-20,24,26,28,30-31,37-39H,6-8,11,13-15,17,21-22H2,1-2H3,(H,35,41)(H,36,40)/b4-3+,10-5+,16-9+,23-12- |
| InChIKey | HOPUIQDHUKYSLN-TXBGBPDLSA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C34H46N2O7 |
| Exact Mass | 594.330502 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AI8TwiquTBl |
|---|---|
| Name | DEMETHYLTRIENOMYCIN_B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46N2O7 |
| InChI | InChI=1S/C34H46N2O7/c1-23-12-11-13-25-18-27(20-29(38)19-25)36-32(40)21-28(37)16-9-4-3-5-10-17-30(22-31(23)39)43-34(42)24(2)35-33(41)26-14-7-6-8-15-26/h3-5,9-10,12,16,18-20,24,26,28,30-31,37-39H,6-8,11,13-15,17,21-22H2,1-2H3,(H,35,41)(H,36,40)/b4-3+,10-5+,16-9+,23-12- |
| InChIKey | HOPUIQDHUKYSLN-TXBGBPDLSA-N |
| Literature Reference Author | T.KAWAMURA,E.TASHIRO,K.SHINDO,M.IMOTO |
| Literature Reference Citation | J.ANTIBIOTICS,61,312(2008) |
| Literature Reference DOI | 10.1038/ja.2008.44 |
| Molecular Weight | 594.748 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMB171 |