| SpectraBase Spectrum ID |
LokXX9UNzqd |
| Name |
Coprostan-16,22-epoxy-3.alpha.-ol 3-o-acetyl-26-iodo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
570.256990370 u |
| Formula |
C29H47IO3 |
| InChI |
InChI=1S/C29H47IO3/c1-17(16-30)6-9-25-18(2)27-26(33-25)15-24-22-8-7-20-14-21(32-19(3)31)10-12-28(20,4)23(22)11-13-29(24,27)5/h17-18,20-27H,6-16H2,1-5H3 |
| InChIKey |
FVXHZWNZNMHGCL-UHFFFAOYSA-N |
| Molecular Weight |
570.596 g/mol |
| SMILES |
C(C(CCC1C(C2C3(CCC4C5(CCC(CC5CCC4C3CC2O1)OC(=O)C)C)C)C)C)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825056 |
