| SpectraBase Compound ID | FX8ildSbrZy |
|---|---|
| InChI | InChI=1S/C29H46/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10-13,20-22,24-27H,7,9,14-19H2,1-6H3/b12-11- |
| InChIKey | NGUVUCVJXSBIEN-QXMHVHEDSA-N |
| Mol Weight | 394.7 g/mol |
| Molecular Formula | C29H46 |
| Exact Mass | 394.359951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7WNBOOOR1VM |
|---|---|
| Name | Stigmasterol-A (-H2O) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.359951481 u |
| Formula | C29H46 |
| InChI | InChI=1S/C29H46/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10-13,20-22,24-27H,7,9,14-19H2,1-6H3/b12-11- |
| InChIKey | NGUVUCVJXSBIEN-QXMHVHEDSA-N |
| Molecular Weight | 394.687 g/mol |
| SMILES | C12(C(C3C(C4(C(=CC3)C=CCC4)C)CC2)CCC1C(\C=C/C(C(C)C)CC)C)C |