| SpectraBase Spectrum ID |
1K03ZVp7qUP |
| Name |
5.alpha.-Androstane-3.beta.,17.beta.-diol, dimethyl ether |
| 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/c1-20-11-9-15(22-3)13-14(20)5-6-16-17-7-8-19(23-4)21(17,2)12-10-18(16)20/h14-19H,5-13H2,1-4H3 |
| InChIKey |
AQOCBVOXXCEOLR-UHFFFAOYSA-N |
| Molecular Weight |
320.517 g/mol |
| SMILES |
C12C3(C(CC(CC3)OC)CCC1C1CCC(C1(CC2)C)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823316 |
