| SpectraBase Compound ID | eCLdkKYlNF |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-16-5-8-24(30-15-16)17(2)25-23(29)14-22-20-7-6-18-13-19(28)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,28-29H,5-15H2,1-4H3/t16-,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1 |
| InChIKey | DZMVQTLHJLLDJV-TVJNBVBHSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G9xB903xBP5 |
|---|---|
| Name | 22,26-Epoxycholestan-3,16-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.344695338 u |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-16-5-8-24(30-15-16)17(2)25-23(29)14-22-20-7-6-18-13-19(28)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,28-29H,5-15H2,1-4H3/t16-,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1 |
| InChIKey | DZMVQTLHJLLDJV-TVJNBVBHSA-N |
| Molecular Weight | 418.662 g/mol |
| SMILES | C1(CCC2(C(C1)CCC1C2CCC2(C1CC(C2C(C)C1OC[C@@](CC1)(C)[H])O)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959721 |