| SpectraBase Spectrum ID |
1qaquBTAnqS |
| Name |
3.beta.-Ethyl-3.alpha.,17.beta.-dihydroxy-5.alpha.-androstan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.271530397 u |
| Formula |
C21H36O2 |
| InChI |
InChI=1S/C21H36O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h14-18,22-23H,4-13H2,1-3H3 |
| InChIKey |
LLYZBWQKINZAKR-UHFFFAOYSA-N |
| Molecular Weight |
320.517 g/mol |
| SMILES |
C12(C3C(C4CCC(C4(CC3)C)O)CCC2CC(CC)(CC1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886174 |
