| SpectraBase Spectrum ID |
3sHJyuoJH9z |
| Name |
de-A,B-22-Iodo-23,24-dinorcholestan-8.beta.-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.079360360 u |
| Formula |
C13H23IO |
| InChI |
InChI=1S/C13H23IO/c1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2/h9-12,15H,3-8H2,1-2H3/t9?,10?,11?,12-,13?/m0/s1 |
| InChIKey |
UPOCHUQWLLGPLP-RFMXUXEOSA-N |
| Molecular Weight |
322.230 g/mol |
| SMILES |
C12(C(CCC2C(CI)C)[C@@](O)(CCC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924615 |
