| SpectraBase Spectrum ID |
3MeKqPtzpQj |
| Name |
5.beta.-Coprostan-16,22-epoxy-3.alpha.,25,26-triol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.339609957 u |
| Formula |
C27H46O4 |
| InChI |
InChI=1S/C27H46O4/c1-16-22(9-10-25(2,30)15-28)31-23-14-21-19-6-5-17-13-18(29)7-11-26(17,3)20(19)8-12-27(21,4)24(16)23/h16-24,28-30H,5-15H2,1-4H3 |
| InChIKey |
VNUQYDCQNQRHNB-UHFFFAOYSA-N |
| Molecular Weight |
434.661 g/mol |
| SMILES |
C(O)(CCC1C(C2C3(CCC4C5(CCC(CC5CCC4C3CC2O1)O)C)C)C)(C)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966097 |
