| SpectraBase Spectrum ID |
LLtrWqOwBiw |
| Name |
6-Norandrost-5-ene-3.beta.,17.beta.-diol-17.alpha.-methyl(3.beta.-acetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.235144887 u |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-13(22)24-15-5-8-19(2)14(11-15)12-16-17(19)6-9-20(3)18(16)7-10-21(20,4)23/h12,15-18,23H,5-11H2,1-4H3 |
| InChIKey |
CAQUTDWCCKOELG-UHFFFAOYSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
C1=2C(C3CCC4(C(C3C2)CCC4(O)C)C)(CCC(OC(=O)C)C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887816 |
