| SpectraBase Spectrum ID |
JB1b4yLZxoW |
| Name |
3,20-Dioxo-5beta-pregnan-21-al, 21-(dimethyl acetal) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.261359635 u |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-22-11-9-15(24)13-14(22)5-6-16-17-7-8-19(20(25)21(26-3)27-4)23(17,2)12-10-18(16)22/h14,16-19,21H,5-13H2,1-4H3/t14-,16+,17+,18+,19-,22+,23+/m1/s1 |
| InChIKey |
SJLFMRDVTAPMPP-ZFYVMIOISA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C1(CC[C@]2([C@@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(C(C(OC)OC)=O)[H])[H])C)[H])[H])[H])C)=O |
