| SpectraBase Compound ID | FRAqs2L9jlk |
|---|---|
| InChI | InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1 |
| InChIKey | LFQXEZVYNCBVDO-PBJLWWPKSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3SJJAq6NjsA |
|---|---|
| Name | 4,4-Dimethyl-5-alpha-cholesta-8,14,24-trien-3-beta-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.354866100 u |
| Formula | C29H46O |
| InChI | InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1 |
| InChIKey | LFQXEZVYNCBVDO-PBJLWWPKSA-N |
| Molecular Weight | 410.686 g/mol |
| SMILES | [C@@]1(O)(CC[C@]2([C@](C1(C)C)(CCC1=C2CC[C@]2(C1=CC[C@@]2([C@](C)(CCC=C(C)C)[H])[H])C)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936558 |