| SpectraBase Compound ID | 959iUhmuXON |
|---|---|
| InChI | InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37) |
| InChIKey | YBZRLMLGUBIIDN-UHFFFAOYSA-N |
| Mol Weight | 621.8 g/mol |
| Molecular Formula | C30H51N7O7 |
| Exact Mass | 621.384997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BHjOnmdZEES |
|---|---|
| Name | Crystalline antibiotic |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 621.384997003 u |
| Formula | C30H51N7O7 |
| InChI | InChI=1S/C30H51N7O7/c1-19(2)13-11-9-7-5-3-4-6-8-10-12-14-21(40)31-15-22(41)36-23-25(42)26(43)30(44-27(23)20(39)16-38)37-29-24-28(33-17-32-24)34-18-35-29/h17-20,23,25-27,30,38-39,42-43H,3-16H2,1-2H3,(H,31,40)(H,36,41)(H2,32,33,34,35,37) |
| InChIKey | YBZRLMLGUBIIDN-UHFFFAOYSA-N |
| Molecular Weight | 621.780 g/mol |
| SMILES | C1(=NC=NC2=C1NC=N2)NC1OC(C(C(C1O)O)NC(CNC(CCCCCCCCCCCCC(C)C)=O)=O)C(CO)O |