| SpectraBase Compound ID | Gz3fxNQbB44 |
|---|---|
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-9,18-19,21-25,28H,7,10-17H2,1-5H3/b8-6+/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | UPGTYLFCVNHBTN-OFAYOZIESA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 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 | Chaigq0zTZF |
|---|---|
| Name | Cholest-5,22Z-dien-3-beta-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.339216036 u |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-9,18-19,21-25,28H,7,10-17H2,1-5H3/b8-6+/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | UPGTYLFCVNHBTN-OFAYOZIESA-N |
| Molecular Weight | 384.648 g/mol |
| SMILES | [C@]1(O)(CC=2[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](\C=C\CC(C)C)(C)[H])[H])[H])C)[H])(CC1)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831826 |