| SpectraBase Spectrum ID |
FHTowIbq9Jp |
| Name |
26-Norcoprostan-16,22-epoxy-3.alpha.-ol-25-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.313395209 u |
| Formula |
C26H42O3 |
| InChI |
InChI=1S/C26H42O3/c1-15(27)5-8-22-16(2)24-23(29-22)14-21-19-7-6-17-13-18(28)9-11-25(17,3)20(19)10-12-26(21,24)4/h16-24,28H,5-14H2,1-4H3 |
| InChIKey |
LNMVKDIHPRCILK-UHFFFAOYSA-N |
| Molecular Weight |
402.619 g/mol |
| SMILES |
C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(O1)CCC(C)=O)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908184 |
