| SpectraBase Spectrum ID |
6Vs1AReZeTm |
| Name |
(3.alpha.,5.beta.)-3-(Acetyloxy)pregnane-12,20-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.245709571 u |
| Formula |
C23H34O4 |
| InChI |
InChI=1S/C23H34O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)20(17)12-21(26)23(18,19)4/h15-20H,5-12H2,1-4H3/t15-,16-,17+,18-,19+,20+,22+,23-/m1/s1 |
| InChIKey |
DIZULACWHXKJSM-QFQZRAANSA-N |
| Molecular Weight |
374.521 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(=O)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954981 |
