| SpectraBase Compound ID | KYzYLMQOlYf |
|---|---|
| InChI | InChI=1S/C30H52O/c1-20(2)11-9-12-21(3)22-13-14-23-26-24(15-18-28(22,23)6)29(7)17-10-16-27(4,5)25(29)19-30(26,8)31/h10,16,20-26,31H,9,11-15,17-19H2,1-8H3/t21-,22-,23+,24+,25+,26+,28-,29-,30?/m1/s1 |
| InChIKey | PAVADGRTFGJSCT-UOAJQZNUSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C30H52O |
| Exact Mass | 428.401816 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KtHv0FCbwxp |
|---|---|
| Name | (3.alpha.,5-.alpha.)-4,4,7-Trimethylcholest-2-en-7-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.401816293 u |
| Formula | C30H52O |
| InChI | InChI=1S/C30H52O/c1-20(2)11-9-12-21(3)22-13-14-23-26-24(15-18-28(22,23)6)29(7)17-10-16-27(4,5)25(29)19-30(26,8)31/h10,16,20-26,31H,9,11-15,17-19H2,1-8H3/t21-,22-,23+,24+,25+,26+,28-,29-,30?/m1/s1 |
| InChIKey | PAVADGRTFGJSCT-UOAJQZNUSA-N |
| Molecular Weight | 428.745 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(C(C[C@@]4([C@@]([C@]3(CC2)[H])(CC=CC4(C)C)C)[H])(O)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942895 |