SpectraBase Spectrum ID |
8jYKWAVlxed |
Name |
17-Noranthiaergostan-1,5,7,9-tetraen, 17-acetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
294.198365456 u |
Formula |
C21H26O |
InChI |
InChI=1S/C21H26O/c1-13-16-7-5-4-6-15(16)12-18-17(13)10-11-21(3)19(14(2)22)8-9-20(18)21/h5,7,12,19-20H,4,6,8-11H2,1-3H3 |
InChIKey |
FYOSUGRGNMSRPZ-UHFFFAOYSA-N |
SMILES |
CC1=C2C(=CC3=C1CCC1(C3CCC1C(=O)C)C)CCC=C2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946138 |