| SpectraBase Spectrum ID |
IUZYkdFKOyg |
| Name |
24-nor-5.alpha.-Cholan-22-one, 3.beta.-hydroxy-, acetate, (20S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.297745145 u |
| Formula |
C25H40O3 |
| InChI |
InChI=1S/C25H40O3/c1-15(16(2)26)21-8-9-22-20-7-6-18-14-19(28-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15-,18+,19+,20+,21-,22+,23+,24+,25-/m1/s1 |
| InChIKey |
NXRULBQTRVUPLF-ILKYCFRXSA-N |
| Molecular Weight |
388.592 g/mol |
| SMILES |
C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@@](CC3)(C[C@](CC2)(OC(C)=O)[H])[H])[H])[H])(CC[C@@]1([C@@](C(C)=O)(C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937356 |
