| SpectraBase Compound ID | EcwYH3VC9Io |
|---|---|
| InChI | InChI=1S/C36H48N2O8/c1-21-12-11-15-25-18-26(39)19-27-34(25)45-29(32-30(44-4)20-31(40)38(27)32)17-10-6-9-16-28(22(2)33(21)41)46-36(43)23(3)37-35(42)24-13-7-5-8-14-24/h6,9-10,12,17-19,22-24,28-30,32-33,39,41H,5,7-8,11,13-16,20H2,1-4H3,(H,37,42)/b9-6+,17-10+,21-12- |
| InChIKey | QOCVCLXEQORBEY-NKLQVEGRSA-N |
| Mol Weight | 636.8 g/mol |
| Molecular Formula | C36H48N2O8 |
| Exact Mass | 636.341067 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yOkEyNM32s |
|---|---|
| Name | BENZOXAZOMYCIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48N2O8 |
| InChI | InChI=1S/C36H48N2O8/c1-21-12-11-15-25-18-26(39)19-27-34(25)45-29(32-30(44-4)20-31(40)38(27)32)17-10-6-9-16-28(22(2)33(21)41)46-36(43)23(3)37-35(42)24-13-7-5-8-14-24/h6,9-10,12,17-19,22-24,28-30,32-33,39,41H,5,7-8,11,13-16,20H2,1-4H3,(H,37,42)/b9-6+,17-10+,21-12- |
| InChIKey | QOCVCLXEQORBEY-NKLQVEGRSA-N |
| Literature Reference Author | N.HOSOKAWA,H.NAGANAWA,M.HAMADA,H.IINUMA,T.TAKEUCHI,K.S.TSUCH IYA,M.HORI |
| Literature Reference Citation | J.ANTIBIOTICS,53,886(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.886 |
| Molecular Weight | 636.786 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWRU7249 |