| SpectraBase Compound ID | tqBuF34qGC |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,20-21,23-27,30H,8-9,11-18H2,1-6H3/b19-7+/t20-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | MMFZLVUIFVOBLE-KBBMRBGGSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FER9Xxck0F2 |
|---|---|
| Name | (24Rs)-24,27-dimethylcholesta-5,26-dien-3.beta.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.370516165 u |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,20-21,23-27,30H,8-9,11-18H2,1-6H3/b19-7+/t20-,21+,23-,24-,25+,26-,27-,28-,29+/m0/s1 |
| InChIKey | MMFZLVUIFVOBLE-KBBMRBGGSA-N |
| Molecular Weight | 412.702 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@@](CC[C@@](\C(=C\C)C)(C)[H])(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925772 |