| SpectraBase Compound ID | CVTFqgnFqKq |
|---|---|
| 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/h7,15,18,20,22-26,29H,8-14,16-17H2,1-6H3/b19-15+/t20-,22+,23+,24-,25-,26+,27+,28-/m1/s1 |
| InChIKey | PITPNPNGRLEMBF-PRRDFDQESA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JJkkZX7fhca |
|---|---|
| Name | 23-Methylenecholesterol |
| Comments | Computed using SmartSpectra Model v1.42 |
| 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/h7,15,18,20,22-26,29H,8-14,16-17H2,1-6H3/b19-15+/t20-,22+,23+,24-,25-,26+,27+,28-/m1/s1 |
| InChIKey | PITPNPNGRLEMBF-PRRDFDQESA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | [C@@]12([C@@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](C\C(=C\C(C)C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832137 |