| SpectraBase Compound ID | CVNkCGy1nHn |
|---|---|
| InChI | InChI=1S/C28H33FN2O4/c1-17(2)7-5-8-18(3)9-6-10-19(4)13-14-31-23-15-20(32)16-24(33)26(23)30-25-21(28(31)35)11-12-22(29)27(25)34/h7,9,11-13,15-16,30,32-34H,5-6,8,10,14H2,1-4H3/b18-9+,19-13+ |
| InChIKey | PVMUWGZANHKMIT-RPSHFMPKSA-N |
| Mol Weight | 480.6 g/mol |
| Molecular Formula | C28H33FN2O4 |
| Exact Mass | 480.242436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHT5m7i0jVS |
|---|---|
| Name | 3-FLUORO-DIAZEPINOMICIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H33FN2O4 |
| InChI | InChI=1S/C28H33FN2O4/c1-17(2)7-5-8-18(3)9-6-10-19(4)13-14-31-23-15-20(32)16-24(33)26(23)30-25-21(28(31)35)11-12-22(29)27(25)34/h7,9,11-13,15-16,30,32-34H,5-6,8,10,14H2,1-4H3/b18-9+,19-13+ |
| InChIKey | PVMUWGZANHKMIT-RPSHFMPKSA-N |
| Literature Reference Author | A.S.RATNAYAKE,J.E.JANSO,X.FENG,G.SCHLINGMANN,I.GOLJER,G.T.CA RTER |
| Literature Reference Citation | J.NAT.PROD.,72,496(2009) |
| Literature Reference DOI | 10.1021/np800664u |
| Molecular Weight | 480.579 g/mol |
| Sample ID | 32342 |
| Solvent | DMSO-D6 |