| SpectraBase Spectrum ID |
HZFm3NwlPRI |
| Name |
4-Desmethyldinosterol (with some small impurities) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.386166229 u |
| Formula |
C29H50O |
| InChI |
InChI=1S/C29H50O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h16,18,20-27,30H,8-15,17H2,1-7H3/b19-16+ |
| InChIKey |
NWPUQBNUEHLQTQ-KNTRCKAVSA-N |
| Molecular Weight |
414.718 g/mol |
| SMILES |
C12(C(C3CCC4C(C3CC2)(CCC(O)C4)C)CCC1C(\C=C\(C(C(C)C)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887992 |
