| SpectraBase Spectrum ID |
5ISo8csNmKv |
| Name |
Pregn-4-ene-3,20-dione-19,19,19-d3 |
| Alternate Name(s) |
[19-(2)H(3)]pregn-4-ene-3,20-dione |
| CAS Registry Number |
132385-63-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H27D3O2 |
| InChI |
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i2D3 |
| InChIKey |
RJKFOVLPORLFTN-ROHGSYQNSA-N |
| Molecular Weight |
317.487 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C([2D])([2D])[2D])[H])(CC[C@@]1(C(=O)C)[H])[H])C |
| SPLASH |
splash10-014i-0009000000-3928c56df0928ea474b1 |
| Source of Spectrum |
KC-1990-2747-4 |
| Wiley ID |
1315621 |
