| SpectraBase Compound ID | E1ZE5LHzm30 |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20,22-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | STLJXSQSUAPXFX-SGUBZQMTSA-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 | Cz8rItJOEf0 |
|---|---|
| Name | 5Alpha-stigmasta-7,24-dien-3beta-ol |
| 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/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20,22-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | STLJXSQSUAPXFX-SGUBZQMTSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | [C@]1(CC[C@@]2([C@]3(CC[C@]4([C@@](CC[C@@]4([C@@](CCC(CC)=C(C)C)(C)[H])[H])(C3=CC[C@]2(C1)[H])[H])C)[H])C)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824353 |