| SpectraBase Spectrum ID |
EErhIPqX0Om |
| Name |
5-alpha-Androstan-12-beta-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.245315649 u |
| Formula |
C19H32O |
| InChI |
InChI=1S/C19H32O/c1-18-10-4-3-6-13(18)8-9-14-15-7-5-11-19(15,2)17(20)12-16(14)18/h13-17,20H,3-12H2,1-2H3/t13-,14+,15+,16+,17-,18+,19-/m1/s1 |
| InChIKey |
KDKLZGDAIOABBP-MJVYMRHDSA-N |
| Molecular Weight |
276.464 g/mol |
| SMILES |
[C@@]1(O)([C@@]2(CCC[C@]2([C@]2([C@@]([C@@]3([C@@](CCCC3)([H])CC2)C)(C1)[H])[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846082 |
