| SpectraBase Compound ID | GUotnLF8UFy |
|---|---|
| InChI | InChI=1S/C44H68N2O16/c1-6-16-30-19-13-11-9-8-10-12-14-20-31(61-43-40(54)38(46-27(4)47)39(53)26(3)59-43)22-35-37(41(55)45-25-36(52)58-5)34(51)24-44(57,62-35)23-29(49)18-15-17-28(48)21-33(50)32(7-2)42(56)60-30/h8-14,20,26,29-35,37-40,43,49-51,53-54,57H,6-7,15-19,21-25H2,1-5H3,(H,45,55)(H,46,47)/b9-8+,12-10+,13-11+,20-14+/t26-,29?,30-,31?,32+,33-,34+,35+,37-,38+,39-,40+,43+,44-/m1/s1 |
| InChIKey | ZDLQNURKNJDFLH-CJEGACILSA-N |
| Mol Weight | 881.0 g/mol |
| Molecular Formula | C44H68N2O16 |
| Exact Mass | 880.456884 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jGziqRe2YO |
|---|---|
| Name | N-ACETYLCARBOMETHOXYMETHYLAMINORIMODICIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H68N2O16 |
| InChI | InChI=1S/C44H68N2O16/c1-6-16-30-19-13-11-9-8-10-12-14-20-31(61-43-40(54)38(46-27(4)47)39(53)26(3)59-43)22-35-37(41(55)45-25-36(52)58-5)34(51)24-44(57,62-35)23-29(49)18-15-17-28(48)21-33(50)32(7-2)42(56)60-30/h8-14,20,26,29-35,37-40,43,49-51,53-54,57H,6-7,15-19,21-25H2,1-5H3,(H,45,55)(H,46,47)/b9-8+,12-10+,13-11+,20-14+/t26-,29?,30-,31?,32+,33-,34+,35+,37-,38+,39-,40+,43+,44-/m1/s1 |
| InChIKey | ZDLQNURKNJDFLH-CJEGACILSA-N |
| Literature Reference Author | P.SOWINSKI,J.PAWLAK,E.BOROWSKI,P.GARIBOLDI |
| Literature Reference Citation | J.ANTIBIOTICS,48,1288(1995) |
| Literature Reference DOI | 10.7164/antibiotics.48.1288 |
| Molecular Weight | 881.028 g/mol |
| Solvent | C5D5N:CD3OD=9:1;C=10MG/ML |
| Source File Reference | UWCS25442 |