| SpectraBase Compound ID | 861J5yzY25P |
|---|---|
| InChI | InChI=1S/C28H46O/c1-7-20(18(2)3)16-19(4)24-10-11-25-23-9-8-21-17-22(29)12-14-27(21,5)26(23)13-15-28(24,25)6/h8,19-20,22-26,29H,2,7,9-17H2,1,3-6H3/t19-,20?,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | YSMAIWHVLZRCAB-HIVHGFAOSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 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 | BdhdRJAkvRM |
|---|---|
| Name | 23-Ethyl-26,27-dinorergosta-5,24-dien-3.beta.-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.354866100 u |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/c1-7-20(18(2)3)16-19(4)24-10-11-25-23-9-8-21-17-22(29)12-14-27(21,5)26(23)13-15-28(24,25)6/h8,19-20,22-26,29H,2,7,9-17H2,1,3-6H3/t19-,20?,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | YSMAIWHVLZRCAB-HIVHGFAOSA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](CC(C(=C)C)CC)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925172 |