| SpectraBase Compound ID | LLQJ3NfwUDG |
|---|---|
| InChI | InChI=1S/C30H54N2O9/c1-12-21-30(8,36)25(34)17(4)22(31-37-11)15(2)14-29(7)26(18(5)24(41-29)19(6)27(35)39-21)40-28-23(33)20(32(9)10)13-16(3)38-28/h15-21,23-26,28,33-34,36H,12-14H2,1-11H3/b31-22+/t15-,16+,17-,18+,19-,20-,21+,23+,24+,25-,26-,28-,29+,30-/m1/s1 |
| InChIKey | IJVMKKQDVYTUSA-OAKGSNTASA-N |
| Mol Weight | 586.8 g/mol |
| Molecular Formula | C30H54N2O9 |
| Exact Mass | 586.382931 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsDx4hxGi7r |
|---|---|
| Name | IJVMKKQDVYTUSA-OAKGSNTASA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H54N2O9 |
| InChI | InChI=1S/C30H54N2O9/c1-12-21-30(8,36)25(34)17(4)22(31-37-11)15(2)14-29(7)26(18(5)24(41-29)19(6)27(35)39-21)40-28-23(33)20(32(9)10)13-16(3)38-28/h15-21,23-26,28,33-34,36H,12-14H2,1-11H3/b31-22+/t15-,16+,17-,18+,19-,20-,21+,23+,24+,25-,26-,28-,29+,30-/m1/s1 |
| InChIKey | IJVMKKQDVYTUSA-OAKGSNTASA-N |
| Literature Reference Author | X.M.HUANG,D.M.REAMER,L.H.MILLER,H.E.GRACEY,S.H.MONTGOMERY,T. G.PAGANO,R.F.HENRY,J |
| Literature Reference Citation | J.ANTIBIOTICS,49,318(1996) |
| Literature Reference DOI | 10.7164/antibiotics.49.318 |
| Molecular Weight | 586.767 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS22699 |