| SpectraBase Compound ID | 6EUbez73lEO |
|---|---|
| InChI | InChI=1S/C36H44N8O12/c1-18(39-35(54)40-26(34(52)53)15-21-7-5-9-23(46)13-21)30(49)42-29(19(2)43(3)32(51)25(37)14-20-6-4-8-22(45)12-20)31(50)38-17-24-16-27(47)33(56-24)44-11-10-28(48)41-36(44)55/h4-13,17-19,25-27,29,33,45-47H,14-16,37H2,1-3H3,(H,38,50)(H,42,49)(H,52,53)(H2,39,40,54)(H,41,48,55)/b24-17+ |
| InChIKey | IITFQSGNPIUSKU-JJIBRWJFSA-N |
| Mol Weight | 780.8 g/mol |
| Molecular Formula | C36H44N8O12 |
| Exact Mass | 780.307869 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8QgiGNIJ1Tr |
|---|---|
| Name | PACIDAMYCIN-5T |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H44N8O12 |
| InChI | InChI=1S/C36H44N8O12/c1-18(39-35(54)40-26(34(52)53)15-21-7-5-9-23(46)13-21)30(49)42-29(19(2)43(3)32(51)25(37)14-20-6-4-8-22(45)12-20)31(50)38-17-24-16-27(47)33(56-24)44-11-10-28(48)41-36(44)55/h4-13,17-19,25-27,29,33,45-47H,14-16,37H2,1-3H3,(H,38,50)(H,42,49)(H,52,53)(H2,39,40,54)(H,41,48,55)/b24-17+ |
| InChIKey | IITFQSGNPIUSKU-JJIBRWJFSA-N |
| Literature Reference Author | R.M.FRONKO,J.C.LEE,J.G.GALAZZO,S.CHAMBERLAND,F.MALOUIN,M.D.L EE |
| Literature Reference Citation | J.ANTIBIOTICS,53,1405(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.1405 |
| Molecular Weight | 780.792 g/mol |
| Solvent | D2O+0.75%-1-TRIMETHYLSILYLPROPIO |
| Source File Reference | UWRU3979 |