| SpectraBase Spectrum ID |
A3DAXcZQ46j |
| Name |
17.beta.-Methyl-5A-androstane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.266051095 u |
| Formula |
C20H34 |
| InChI |
InChI=1S/C20H34/c1-14-7-10-17-16-9-8-15-6-4-5-12-20(15,3)18(16)11-13-19(14,17)2/h14-18H,4-13H2,1-3H3/t14-,15+,16-,17-,18-,19+,20-/m0/s1 |
| InChIKey |
IICDQGZBBFIOFN-JIWXIQHESA-N |
| Molecular Weight |
274.492 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1(C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859049 |
