| SpectraBase Spectrum ID |
9pAJhNPoujs |
| Name |
12.alpha.-Hydroxy-5.alpha.-pregnane, methoxyacetate (ester) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.297745145 u |
| Formula |
C24H40O3 |
| InChI |
InChI=1S/C24H40O3/c1-5-16-10-12-19-18-11-9-17-8-6-7-13-23(17,2)20(18)14-21(24(16,19)3)27-22(25)15-26-4/h16-21H,5-15H2,1-4H3 |
| InChIKey |
JHECTGPTWGFKKK-UHFFFAOYSA-N |
| Molecular Weight |
376.581 g/mol |
| SMILES |
C1CC2C(CC1)(C1C(CC2)C2C(C(C1)OC(=O)COC)(C(CC)CC2)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947732 |
