| SpectraBase Compound ID | AZSlNz5ABtK |
|---|---|
| InChI | InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1 |
| InChIKey | MBZYKEVPFYHDOH-BQNIITSRSA-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 | Eqtk2aRF3VQ |
|---|---|
| Name | Lanost-8(9)-en-3-beta-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)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1 |
| InChIKey | MBZYKEVPFYHDOH-BQNIITSRSA-N |
| Molecular Weight | 428.745 g/mol |
| SMILES | [C@]1(O)(C([C@]2([C@@](C3=C([C@]4([C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC4)[H])(CC3)C)C)CC2)(CC1)C)[H])(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930697 |