| SpectraBase Compound ID | 90UmNXs9RYR |
|---|---|
| InChI | InChI=1S/C29H50O/c1-18(2)19(3)16-20(4)21(5)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8,18-21,23-27,30H,9-17H2,1-7H3/t19-,20-,21-,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | LJDGIGXEJOAQTK-HSYOMODWSA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C29H50O |
| Exact Mass | 414.386166 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HUhTPnxa3NW |
|---|---|
| Name | (22R,24R)-22,24-Dimethylcholesterol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.386166229 u |
| Formula | C29H50O |
| InChI | InChI=1S/C29H50O/c1-18(2)19(3)16-20(4)21(5)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8,18-21,23-27,30H,9-17H2,1-7H3/t19-,20-,21-,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | LJDGIGXEJOAQTK-HSYOMODWSA-N |
| Molecular Weight | 414.718 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(O)C4)C)[H])(CC[C@@]1([C@@]([C@@](C[C@](C(C)C)(C)[H])(C)[H])(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845887 |