| SpectraBase Compound ID | LCDt0FlazgJ |
|---|---|
| InChI | InChI=1S/C27H46O/c1-18-8-13-25(28-17-18)19(2)22-11-12-23-21-10-9-20-7-5-6-15-26(20,3)24(21)14-16-27(22,23)4/h18-25H,5-17H2,1-4H3/t18-,19?,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1 |
| InChIKey | KTIQEFJZHFWRDU-LHGYKQFUSA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C27H46O |
| Exact Mass | 386.354866 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1nWipefozIb |
|---|---|
| Name | Cholestan-22(26)-isoepoxy |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.354866100 u |
| Formula | C27H46O |
| InChI | InChI=1S/C27H46O/c1-18-8-13-25(28-17-18)19(2)22-11-12-23-21-10-9-20-7-5-6-15-26(20,3)24(21)14-16-27(22,23)4/h18-25H,5-17H2,1-4H3/t18-,19?,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1 |
| InChIKey | KTIQEFJZHFWRDU-LHGYKQFUSA-N |
| Molecular Weight | 386.664 g/mol |
| SMILES | C1CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C)C1OC[C@@](CC1)(C)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846253 |