| SpectraBase Compound ID | 4aohXtnoIFZ |
|---|---|
| InChI | InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)22-14-15-23-21-13-12-20-11-6-7-16-26(20,4)25(21)24(28)17-27(22,23)5/h18-20,22-23H,6-17H2,1-5H3 |
| InChIKey | RPTDUXCNFABYSG-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GQMzuKsJ8D |
|---|---|
| Name | Cholest-8-en-11-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.339216036 u |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-18(2)9-8-10-19(3)22-14-15-23-21-13-12-20-11-6-7-16-26(20,4)25(21)24(28)17-27(22,23)5/h18-20,22-23H,6-17H2,1-5H3 |
| InChIKey | RPTDUXCNFABYSG-UHFFFAOYSA-N |
| Molecular Weight | 384.648 g/mol |
| SMILES | C1CCC2(C(C1)CCC1=C2C(=O)CC2(C1CCC2C(CCCC(C)C)C)C)C |