| SpectraBase Spectrum ID |
IhfXAlW2QGR |
| Name |
3-Cholestanol piperidinomethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
485.459665523 u |
| Formula |
C33H59NO |
| InChI |
InChI=1S/C33H59NO/c1-24(2)10-9-11-25(3)29-14-15-30-28-13-12-26-22-27(35-23-34-20-7-6-8-21-34)16-18-32(26,4)31(28)17-19-33(29,30)5/h24-31H,6-23H2,1-5H3 |
| InChIKey |
WUXKOXGUVJRHBO-UHFFFAOYSA-N |
| Molecular Weight |
485.841 g/mol |
| SMILES |
C1(CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C)CCCC(C)C)C)C)OCN1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922716 |
