| SpectraBase Compound ID | 4ASNhXequ1S |
|---|---|
| InChI | InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h14,19-22,24-25H,6-13,15-18H2,1-5H3 |
| InChIKey | MOYQLPMOPRGPME-UHFFFAOYSA-N |
| Mol Weight | 370.7 g/mol |
| Molecular Formula | C27H46 |
| Exact Mass | 370.359951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 688QgSxpp8y |
|---|---|
| Name | Cholestan-16-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.359951481 u |
| Formula | C27H46 |
| InChI | InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h14,19-22,24-25H,6-13,15-18H2,1-5H3 |
| InChIKey | MOYQLPMOPRGPME-UHFFFAOYSA-N |
| Molecular Weight | 370.665 g/mol |
| SMILES | C1CCC2(C(C1)CCC1C2CCC2(C1CC=C2C(C)CCCC(C)C)C)C |