| SpectraBase Spectrum ID |
2psZBtFs16S |
| Name |
Androstan-4,16-dien-3-one, 17-formyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.193280075 u |
| Formula |
C20H26O2 |
| InChI |
InChI=1S/C20H26O2/c1-19-9-7-15(22)11-13(19)3-5-16-17-6-4-14(12-21)20(17,2)10-8-18(16)19/h4,11-12,16-18H,3,5-10H2,1-2H3/t16-,17-,18-,19-,20+/m0/s1 |
| InChIKey |
HYHGZALGJXJFFW-VYJAJWGXSA-N |
| Molecular Weight |
298.426 g/mol |
| SMILES |
C1(CC[C@]2(C(=C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC=C2C=O)[H])C)[H])[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917287 |
