| SpectraBase Compound ID | Laiy8wXwHjD |
|---|---|
| InChI | InChI=1S/C31H44O/c1-5-6-10-22(2)27-15-16-28-26-14-13-23-21-25(32-24-11-8-7-9-12-24)17-19-30(23,3)29(26)18-20-31(27,28)4/h7-13,25-29H,5-6,14-21H2,1-4H3/b22-10-/t25?,26-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | GXYUWFWTZCJNAW-MZZWKFMTSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C31H44O |
| Exact Mass | 432.339216 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Gro7uToz5KC |
|---|---|
| Name | 3B-Phenoxy-26,27-bisnor-cholest-5,20(22)-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.339216036 u |
| Formula | C31H44O |
| InChI | InChI=1S/C31H44O/c1-5-6-10-22(2)27-15-16-28-26-14-13-23-21-25(32-24-11-8-7-9-12-24)17-19-30(23,3)29(26)18-20-31(27,28)4/h7-13,25-29H,5-6,14-21H2,1-4H3/b22-10-/t25?,26-,27+,28-,29-,30-,31+/m0/s1 |
| InChIKey | GXYUWFWTZCJNAW-MZZWKFMTSA-N |
| Molecular Weight | 432.692 g/mol |
| SMILES | C1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(\C(=C/CCC)C)[H])[H])C)[H])[H])C)OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804348 |