| SpectraBase Spectrum ID |
DwNYQUT9jm3 |
| Name |
16,22-Epoxycoprostan-3.beta.-ol acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.360345403 u |
| Formula |
C29H48O3 |
| InChI |
InChI=1S/C29H48O3/c1-17(2)7-10-25-18(3)27-26(32-25)16-24-22-9-8-20-15-21(31-19(4)30)11-13-28(20,5)23(22)12-14-29(24,27)6/h17-18,20-27H,7-16H2,1-6H3 |
| InChIKey |
HLXZOXFCKSGWCW-UHFFFAOYSA-N |
| Molecular Weight |
444.700 g/mol |
| SMILES |
C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(O1)CCC(C)C)C)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838743 |
