| SpectraBase Compound ID | H0XcWXzHPoI |
|---|---|
| InChI | InChI=1S/C35H50N2O13/c1-19-11-9-7-5-4-6-8-10-12-23(48-34-32(43)30(37-21(3)38)31(42)20(2)47-34)16-27-29(33(36)44)24(40)18-35(45,50-27)17-22(39)15-26-25(49-26)13-14-28(41)46-19/h4-10,12-14,19-20,22-27,29-32,34,39-40,42-43,45H,11,15-18H2,1-3H3,(H2,36,44)(H,37,38)/b5-4+,8-6+,9-7+,12-10+,14-13+/t19?,20-,22?,23?,24?,25?,26?,27?,29?,30+,31-,32+,34+,35?/m1/s1 |
| InChIKey | FWQTZCQUQSNCSC-ZDPSMEGWSA-N |
| Mol Weight | 706.8 g/mol |
| Molecular Formula | C35H50N2O13 |
| Exact Mass | 706.33129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55sujdYHQ76 |
|---|---|
| Name | N-ACETYL-AB-400 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H50N2O13 |
| InChI | InChI=1S/C35H50N2O13/c1-19-11-9-7-5-4-6-8-10-12-23(48-34-32(43)30(37-21(3)38)31(42)20(2)47-34)16-27-29(33(36)44)24(40)18-35(45,50-27)17-22(39)15-26-25(49-26)13-14-28(41)46-19/h4-10,12-14,19-20,22-27,29-32,34,39-40,42-43,45H,11,15-18H2,1-3H3,(H2,36,44)(H,37,38)/b5-4+,8-6+,9-7+,12-10+,14-13+/t19?,20-,22?,23?,24?,25?,26?,27?,29?,30+,31-,32+,34+,35?/m1/s1 |
| InChIKey | FWQTZCQUQSNCSC-ZDPSMEGWSA-N |
| Literature Reference Author | L.M.CANEDO,L.COSTA,L.M.CRIADO,J.L.F.PUENTES,M.A.MORENO,K.L.R INEHART |
| Literature Reference Citation | J.ANTIBIOTICS,53,623(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.623 |
| Molecular Weight | 706.788 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWRU8153 |