| SpectraBase Compound ID | GIddT2Byr01 |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-20-8-6-17-16-5-3-14(22)10-13(16)2-4-18(17)19(20)7-9-21(20,23)11-15-12-24-15/h3,5,10,15,17-19,22-23H,2,4,6-9,11-12H2,1H3/t15?,17?,18?,19?,20?,21-/m1/s1 |
| InChIKey | LZPOVRNTTKDKQY-CRAHSDJHSA-N |
| Mol Weight | 328.45 g/mol |
| Molecular Formula | C21H28O3 |
| Exact Mass | 328.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6RmekPTFWtb |
|---|---|
| Name | 17.alpha.-(2',3'-Epoxyprop-1'-yl)estra-1,3,5(10)-trien-3,17.beta.-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.203844759 u |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-20-8-6-17-16-5-3-14(22)10-13(16)2-4-18(17)19(20)7-9-21(20,23)11-15-12-24-15/h3,5,10,15,17-19,22-23H,2,4,6-9,11-12H2,1H3/t15?,17?,18?,19?,20?,21-/m1/s1 |
| InChIKey | LZPOVRNTTKDKQY-CRAHSDJHSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | C12([C@](CC3OC3)(CCC1C1CCC3=C(C1CC2)C=CC(O)=C3)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85529 |