| SpectraBase Compound ID | I7BHSMBt70n |
|---|---|
| InChI | InChI=1S/C25H44O/c1-5-6-7-8-18-9-10-21-20-12-14-23(2)17-19(26)11-16-25(23,4)22(20)13-15-24(18,21)3/h18-22,26H,5-17H2,1-4H3/t18-,19-,20-,21-,22-,23-,24+,25+/m0/s1 |
| InChIKey | FNZWKADUYFILGQ-TXZJDNNISA-N |
| Mol Weight | 360.6 g/mol |
| Molecular Formula | C25H44O |
| Exact Mass | 360.339216 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5VKyLPFOTRz |
|---|---|
| Name | 21,27-bis(nor)-5.alpha.-Cholestan-3.beta.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.339216036 u |
| Formula | C25H44O |
| InChI | InChI=1S/C25H44O/c1-5-6-7-8-18-9-10-21-20-12-14-23(2)17-19(26)11-16-25(23,4)22(20)13-15-24(18,21)3/h18-22,26H,5-17H2,1-4H3/t18-,19-,20-,21-,22-,23-,24+,25+/m0/s1 |
| InChIKey | FNZWKADUYFILGQ-TXZJDNNISA-N |
| Molecular Weight | 360.626 g/mol |
| SMILES | [C@]12([C@@](CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)(CCCCC)[H])[H])[H])(C[C@@](O)(CC1)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922162 |