| SpectraBase Spectrum ID |
E5np3kB5Rxq |
| Name |
5.alpha.-Androstane-3.beta.,9-diol-17-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.219494823 u |
| Formula |
C19H30O3 |
| InChI |
InChI=1S/C19H30O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h12-15,20,22H,3-11H2,1-2H3 |
| InChIKey |
UXZGHAVOAACUIL-UHFFFAOYSA-N |
| SMILES |
C12(C3(C(CCC2C2CCC(C2(CC1)C)=O)CC(CC3)O)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895587 |
