| SpectraBase Spectrum ID |
IVL6gOU7H1f |
| Name |
26-Norcoprostan-16,22-epoxy-3.alpha.-ol-25-one 3-o-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.323959893 u |
| Formula |
C28H44O4 |
| InChI |
InChI=1S/C28H44O4/c1-16(29)6-9-24-17(2)26-25(32-24)15-23-21-8-7-19-14-20(31-18(3)30)10-12-27(19,4)22(21)11-13-28(23,26)5/h17,19-26H,6-15H2,1-5H3 |
| InChIKey |
FFDVHDMEGANUQP-UHFFFAOYSA-N |
| Molecular Weight |
444.656 g/mol |
| SMILES |
CC(CCC1C(C2C3(CCC4C5(CCC(CC5CCC4C3CC2O1)OC(=O)C)C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879738 |
