| SpectraBase Spectrum ID |
Iv2qG3jXNse |
| Name |
N-Acetyl-N-methyl-3-aminocholestane ( 3 .beta.) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.412715330 u |
| Formula |
C30H53NO |
| InChI |
InChI=1S/C30H53NO/c1-20(2)9-8-10-21(3)26-13-14-27-25-12-11-23-19-24(31(7)22(4)32)15-17-29(23,5)28(25)16-18-30(26,27)6/h20-21,23-28H,8-19H2,1-7H3 |
| InChIKey |
ATBWZSYTHJUAJE-UHFFFAOYSA-N |
| Molecular Weight |
443.760 g/mol |
| SMILES |
CC(C)CCCC(C)C1CCC2C1(C)CCC1C3(C)CCC(N(C(=O)C)C)CC3CCC21 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862981 |
