| SpectraBase Compound ID | Lxc4GqHTy4T |
|---|---|
| InChI | InChI=1S/C28H46O/c1-19(2)17-22(29-6)18-20(3)24-12-13-25-23-11-10-21-9-7-8-15-27(21,4)26(23)14-16-28(24,25)5/h10,18-20,23-26H,7-9,11-17H2,1-6H3/b22-18-/t20-,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | LVVNMMIMIUDMHR-UMKWYQAISA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11VPOlMjcV5 |
|---|---|
| Name | .Delta.(22)-23-methylcholester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.354866100 u |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/c1-19(2)17-22(29-6)18-20(3)24-12-13-25-23-11-10-21-9-7-8-15-27(21,4)26(23)14-16-28(24,25)5/h10,18-20,23-26H,7-9,11-17H2,1-6H3/b22-18-/t20-,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | LVVNMMIMIUDMHR-UMKWYQAISA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@]([C@]3(CC2)[H])(C)CCCC4)[H])(CC[C@@]1([C@@](\C=C\(CC(C)C)OC)(C)[H])[H])[H])C |