| SpectraBase Compound ID | Dch9MploxLf |
|---|---|
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-20,23-25H,6-9,11-17H2,1-5H3/t19-,20-,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | FLRPNSKUGCVRRB-GFWJTQLASA-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 | 4tkEFB47mHg |
|---|---|
| Name | 5.beta-Cholest-7-en-3-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)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-20,23-25H,6-9,11-17H2,1-5H3/t19-,20-,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | FLRPNSKUGCVRRB-GFWJTQLASA-N |
| Molecular Weight | 384.648 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CCC(C[C@]2(CC1)[H])=O)C)[H])[H] |