| SpectraBase Compound ID | DjNJ5Ohsvga |
|---|---|
| InChI | InChI=1S/C28H46O/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7,18,20,22-26,29H,3,8-17H2,1-2,4-6H3/t20-,22?,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | UXEQUMZTPUSKSX-ULEPMCFASA-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 | CG8tX8txThi |
|---|---|
| Name | 23,24R-Methylenecholesterol |
| 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/c1-18(2)15-19(3)16-20(4)24-9-10-25-23-8-7-21-17-22(29)11-13-27(21,5)26(23)12-14-28(24,25)6/h7,18,20,22-26,29H,3,8-17H2,1-2,4-6H3/t20-,22?,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | UXEQUMZTPUSKSX-ULEPMCFASA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(O)C4)C)[H])(CC[C@@]1([C@@](CC(=C)CC(C)C)(C)[H])[H])[H])C |