| SpectraBase Spectrum ID |
BPqG3uYQ5ru |
| Name |
(8.beta.)-de-A,B-8-Methoxymethyloxy-23,24-dinorcholan-22-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.203844759 u |
| Formula |
C15H28O3 |
| InChI |
InChI=1S/C15H28O3/c1-11(9-16)12-6-7-13-14(18-10-17-3)5-4-8-15(12,13)2/h11-14,16H,4-10H2,1-3H3/t11-,12-,13+,14+,15-/m1/s1 |
| InChIKey |
JSTNKMNUJPBPQQ-NIFZNCRKSA-N |
| Molecular Weight |
256.386 g/mol |
| SMILES |
[C@]12([C@@](CC[C@@]2([C@@](CO)(C)[H])[H])([C@@](OCOC)(CCC1)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948415 |
