| SpectraBase Compound ID | JzR6bdYW9AS |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,28-29H,5,7-16H2,1-4H3 |
| InChIKey | ANPHLQXCHVRCDX-UHFFFAOYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4WWQQFYj9FF |
|---|---|
| Name | 16-Deoxokryptogenin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.329045274 u |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-17(16-28)5-10-25(30)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,28-29H,5,7-16H2,1-4H3 |
| InChIKey | ANPHLQXCHVRCDX-UHFFFAOYSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | C1CC(C(C(CCC(CO)C)=O)C)C2(C1C1C(C3(C(=CC1)CC(O)CC3)C)CC2)C |