| SpectraBase Spectrum ID |
8BHS6tGtIb0 |
| Name |
Cholestan-3,22,26-triol triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
546.392039453 u |
| Formula |
C33H54O6 |
| InChI |
InChI=1S/C33H54O6/c1-20(19-37-22(3)34)8-13-31(39-24(5)36)21(2)28-11-12-29-27-10-9-25-18-26(38-23(4)35)14-16-32(25,6)30(27)15-17-33(28,29)7/h20-21,25-31H,8-19H2,1-7H3 |
| InChIKey |
MJVXCGDGQYUIPI-UHFFFAOYSA-N |
| Molecular Weight |
546.789 g/mol |
| SMILES |
C1(CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C)C(CCC(COC(=O)C)C)OC(=O)C)C)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981287 |
