| SpectraBase Spectrum ID |
GXGGKb8yAkk |
| Name |
Pregnan-18-ol, 20-amino-, (5.alpha.,20S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.287514814 u |
| Formula |
C21H37NO |
| InChI |
InChI=1S/C21H37NO/c1-14(22)17-8-9-19-16-7-6-15-5-3-4-11-20(15,2)18(16)10-12-21(17,19)13-23/h14-19,23H,3-13,22H2,1-2H3/t14-,15+,16+,17+,18-,19-,20-,21-/m0/s1 |
| InChIKey |
CIEUAJSCVKUSCB-KQBFAJRKSA-N |
| Molecular Weight |
319.533 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](N)(C)[H])[H])[H])CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863771 |
