| SpectraBase Spectrum ID |
1lVtWeHDptE |
| Name |
Cholest-5-ene-16,22-dione, 3,26-bis(acetyloxy)-, (3.beta.,25R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.329439195 u |
| Formula |
C31H46O6 |
| InChI |
InChI=1S/C31H46O6/c1-18(17-36-20(3)32)7-10-27(34)19(2)29-28(35)16-26-24-9-8-22-15-23(37-21(4)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,29H,7,9-17H2,1-6H3 |
| InChIKey |
SLRSTHDNKGLBAU-UHFFFAOYSA-N |
| Molecular Weight |
514.703 g/mol |
| SMILES |
CC12C(C3C(CC2)C2(C)C(=CC3)CC(CC2)OC(C)=O)CC(C1C(C(CCC(COC(C)=O)C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967825 |
