| SpectraBase Spectrum ID |
J9lJetnI6sc |
| Name |
C(14A)-Homo-27-nor-14.beta.-gammaceran-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.386166229 u |
| Formula |
C30H50O |
| InChI |
InChI=1S/C30H50O/c1-26(2)15-8-16-29(6)21-10-12-24-28(5,19-20(21)9-11-22(26)29)17-13-23-27(3,4)25(31)14-18-30(23,24)7/h20-24H,8-19H2,1-7H3 |
| InChIKey |
QLOZOEFSBNKTES-UHFFFAOYSA-N |
| Molecular Weight |
426.729 g/mol |
| SMILES |
CC12C3C(C)(CC4CCC5C(C4CC3)(C)CCCC5(C)C)CCC1C(C)(C)C(CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950117 |
