| SpectraBase Compound ID | L71CWbXuO0i |
|---|---|
| InChI | InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h20,22-23,26-27,32H,3,10-19H2,1-2,4-9H3/t22-,23?,26?,27+,29-,30-,31+/m1/s1 |
| InChIKey | XJLZCPIILZRCPS-YCXJELAPSA-N |
| Mol Weight | 440.8 g/mol |
| Molecular Formula | C31H52O |
| Exact Mass | 440.401816 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 48HsuwDDcdv |
|---|---|
| Name | 24-Methylene-22,23-dihydroanosterol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.401816293 u |
| Formula | C31H52O |
| InChI | InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h20,22-23,26-27,32H,3,10-19H2,1-2,4-9H3/t22-,23?,26?,27+,29-,30-,31+/m1/s1 |
| InChIKey | XJLZCPIILZRCPS-YCXJELAPSA-N |
| Molecular Weight | 440.756 g/mol |
| SMILES | [C@]12(C3=C([C@]4(CC[C@@](C(C4CC3)(C)C)(O)[H])C)CC[C@@]2(C([C@@](CCC(=C)C(C)C)(C)[H])CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932889 |