| SpectraBase Compound ID | Ba335OFqVTJ |
|---|---|
| InChI | InChI=1S/C32H56N4O8/c1-16(2)12-22-31(41)43-15-21(11)14-24(37)35-25(18(5)6)28(38)34-23(13-17(3)4)32(42)44-27(20(9)10)30(40)36-26(19(7)8)29(39)33-22/h16-23,25-27H,12-15H2,1-11H3,(H,33,39)(H,34,38)(H,35,37)(H,36,40) |
| InChIKey | SMMGTEGETUDQSP-UHFFFAOYSA-N |
| Mol Weight | 624.8 g/mol |
| Molecular Formula | C32H56N4O8 |
| Exact Mass | 624.409815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9n3oC2cyvQ4 |
|---|---|
| Name | Sporidesmolide iii |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 624.409814771 u |
| Formula | C32H56N4O8 |
| InChI | InChI=1S/C32H56N4O8/c1-16(2)12-22-31(41)43-15-21(11)14-24(37)35-25(18(5)6)28(38)34-23(13-17(3)4)32(42)44-27(20(9)10)30(40)36-26(19(7)8)29(39)33-22/h16-23,25-27H,12-15H2,1-11H3,(H,33,39)(H,34,38)(H,35,37)(H,36,40) |
| InChIKey | SMMGTEGETUDQSP-UHFFFAOYSA-N |
| Molecular Weight | 624.820 g/mol |
| SMILES | C1(NC(C(NC(C(OCC(CC(NC(C(NC(C(OC1C(C)C)=O)CC(C)C)=O)C(C)C)=O)C)=O)CC(C)C)=O)C(C)C)=O |