| SpectraBase Spectrum ID |
GeRR71ktwil |
| Name |
Pregn-20-ene-20-carboxaldehyde, 3-(acetyloxy)-12-oxo-, (3.beta.,5.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.245709571 u |
| Formula |
C24H34O4 |
| InChI |
InChI=1S/C24H34O4/c1-14(13-25)19-7-8-20-18-6-5-16-11-17(28-15(2)26)9-10-23(16,3)21(18)12-22(27)24(19,20)4/h13,16-21H,1,5-12H2,2-4H3/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1 |
| InChIKey |
CHZHYTGDNUJGMA-LVVAJZGHSA-N |
| Molecular Weight |
386.532 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2=O)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1(C(=C)C=O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94165 |
