| SpectraBase Compound ID | WVzZ4GGFfq |
|---|---|
| InChI | InChI=1S/C29H50O/c1-20(2)8-7-9-21(3)24-12-13-25-23-11-10-22-14-16-27(4,30)18-19-28(22,5)26(23)15-17-29(24,25)6/h14,20-21,23-26,30H,7-13,15-19H2,1-6H3/t21-,23+,24-,25+,26+,27-,28+,29-/m1/s1 |
| InChIKey | FJUACMBWOWNMCA-NZQQMHQFSA-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 | C557V36GaM2 |
|---|---|
| Name | 3.alpha.-Methyl-A-homo-4A-cholesten-3.beta.-ol |
| 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/c1-20(2)8-7-9-21(3)24-12-13-25-23-11-10-22-14-16-27(4,30)18-19-28(22,5)26(23)15-17-29(24,25)6/h14,20-21,23-26,30H,7-13,15-19H2,1-6H3/t21-,23+,24-,25+,26+,27-,28+,29-/m1/s1 |
| InChIKey | FJUACMBWOWNMCA-NZQQMHQFSA-N |
| Molecular Weight | 414.718 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CC[C@@](O)(C)CC4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926137 |