| SpectraBase Compound ID | 70aRykrPs6G |
|---|---|
| InChI | InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1 |
| InChIKey | SXJVFYZNUGGHRG-PZHNMUJHSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C29H50O2 |
| Exact Mass | 430.381081 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GrmyHo8T3cW |
|---|---|
| Name | 7-beta-Hydroxy-sitosterol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.381080848 u |
| Formula | C29H50O2 |
| InChI | InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1 |
| InChIKey | SXJVFYZNUGGHRG-PZHNMUJHSA-N |
| Molecular Weight | 430.717 g/mol |
| SMILES | [C@@]1(O)(CC[C@]2(C(C1)=C[C@](O)([C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CC[C@](C(C)C)(CC)[H])[H])[H])[H])[H])[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85612 |