| SpectraBase Compound ID | BIkAHrJqgpK |
|---|---|
| InChI | InChI=1S/C29H48O/c1-19(2)10-8-11-20(3)22-12-13-23-21-18-25(30)26-27(4,5)15-9-16-29(26,7)24(21)14-17-28(22,23)6/h8,10-11,20-26,30H,9,12-18H2,1-7H3/b11-8+/t20-,21+,22-,23+,24+,25?,26?,28-,29-/m1/s1 |
| InChIKey | XNAQMJUOONUYMO-LZDVYMBBSA-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 | 74BghXTdaED |
|---|---|
| Name | Cholesta-22,24-dien-5-ol, 4,4-dimethyl- |
| 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/c1-19(2)10-8-11-20(3)22-12-13-23-21-18-25(30)26-27(4,5)15-9-16-29(26,7)24(21)14-17-28(22,23)6/h8,10-11,20-26,30H,9,12-18H2,1-7H3/b11-8+/t20-,21+,22-,23+,24+,25?,26?,28-,29-/m1/s1 |
| InChIKey | XNAQMJUOONUYMO-LZDVYMBBSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | C1CC[C@]2(C(C1(C)C)C(C[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](\C=C\C=C(C)C)(C)[H])[H])[H])C)[H])[H])O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872288 |