| SpectraBase Compound ID | gdBub0a7P3 |
|---|---|
| InChI | InChI=1S/C29H38O7/c1-18(2)11-9-12-19(3)13-10-14-20(4)15-16-25-21(5)26(17-30)28(35-23(7)32)29(36-24(8)33)27(25)34-22(6)31/h11,13,15,17H,9-10,12,14,16H2,1-8H3/b19-13+,20-15+ |
| InChIKey | YMQRMHZQDYNHLT-YLYRKCBPSA-N |
| Mol Weight | 498.6 g/mol |
| Molecular Formula | C29H38O7 |
| Exact Mass | 498.261754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gcYBPlTAf8 |
|---|---|
| Name | Triacetylscutigeral |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 498.261753557 u |
| Formula | C29H38O7 |
| InChI | InChI=1S/C29H38O7/c1-18(2)11-9-12-19(3)13-10-14-20(4)15-16-25-21(5)26(17-30)28(35-23(7)32)29(36-24(8)33)27(25)34-22(6)31/h11,13,15,17H,9-10,12,14,16H2,1-8H3/b19-13+,20-15+ |
| InChIKey | YMQRMHZQDYNHLT-YLYRKCBPSA-N |
| Molecular Weight | 498.616 g/mol |
| SMILES | C1(=C(C(=C(C)C(=C1OC(=O)C)C\C=C\(CC\C=C\(CCC=C(C)C)C)C)C=O)OC(=O)C)OC(=O)C |