| SpectraBase Spectrum ID |
DJpGGotkzY5 |
| Name |
3.beta.-Acetoxy-5.alpha.-pregnan-18,20-dione |
| Alternate Name(s) |
(3beta,5alpha)-18,20-dioxopregnan-3-yl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H34O4 |
| InChI |
InChI=1S/C23H34O4/c1-14(25)19-6-7-21-18-5-4-16-12-17(27-15(2)26)8-10-22(16,3)20(18)9-11-23(19,21)13-24/h13,16-21H,4-12H2,1-3H3/t16-,17-,18+,19+,20-,21-,22-,23-/m0/s1 |
| InChIKey |
KAXQSGVASLZUJN-WNCKLLFJSA-N |
| Molecular Weight |
374.521 g/mol |
| SMILES |
[C@]1(CC[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@](C(C)=O)([C@@]3(C=O)CC[C@]21[H])[H])[H])[H])[H])C)(OC(=O)C)[H] |
| SPLASH |
splash10-00di-0009000000-4052c3a5485cffcb2189 |
| Source of Spectrum |
E1-40-1146-3 |
| Wiley ID |
1519402 |
