| SpectraBase Spectrum ID |
FjQhildR9X1 |
| Name |
Coprostan-16,22-epoxy-3.alpha.,26,27-triol, 26,27-diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
518.360739324 u |
| Formula |
C31H50O6 |
| InChI |
InChI=1S/C31H50O6/c1-18-27(9-6-21(16-35-19(2)32)17-36-20(3)33)37-28-15-26-24-8-7-22-14-23(34)10-12-30(22,4)25(24)11-13-31(26,5)29(18)28/h18,21-29,34H,6-17H2,1-5H3 |
| InChIKey |
XZOLPZIGOWQVKZ-UHFFFAOYSA-N |
| Molecular Weight |
518.735 g/mol |
| SMILES |
C(C(CCC1C(C2C3(CCC4C5(CCC(CC5CCC4C3CC2O1)O)C)C)C)COC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958005 |
