| SpectraBase Compound ID | 1F57k3M326x |
|---|---|
| InChI | InChI=1S/C23H36O3/c1-13-20-19(26-21(13)25-4)12-18-16-6-5-14-11-15(24)7-9-22(14,2)17(16)8-10-23(18,20)3/h5,13,15-21,24H,6-12H2,1-4H3/t13-,15+,16-,17+,18+,19+,20+,21?,22+,23+/m1/s1 |
| InChIKey | IKIGGHBBPPWTSC-WLUCFAJKSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C23H36O3 |
| Exact Mass | 360.266445 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 11jzy9KGdzc |
|---|---|
| Name | 16.beta.,22-Epoxy-22.beta.-methoxy-23,24-dinor-chol-5-ene-3.beta.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.266445016 u |
| Formula | C23H36O3 |
| InChI | InChI=1S/C23H36O3/c1-13-20-19(26-21(13)25-4)12-18-16-6-5-14-11-15(24)7-9-22(14,2)17(16)8-10-23(18,20)3/h5,13,15-21,24H,6-12H2,1-4H3/t13-,15+,16-,17+,18+,19+,20+,21?,22+,23+/m1/s1 |
| InChIKey | IKIGGHBBPPWTSC-WLUCFAJKSA-N |
| Molecular Weight | 360.538 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(C[C@]2([C@@]1([C@](C(OC)O2)(C)[H])[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943487 |