| SpectraBase Spectrum ID |
DxsjiuzIroR |
| Name |
21-ACETOXY-PREGN-4-ENE-3,11,20-TRIONE |
| CAS Registry Number |
1173-27-9 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
386.209324061 u |
| Formula |
C23H30O5 |
| InChI |
InChI=1S/C23H30O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-18,21H,4-9,11-12H2,1-3H3/t16-,17-,18+,21+,22-,23-/m0/s1 |
| InChIKey |
DOETVHHSMBAUKN-GHBJZYDUSA-N |
| Molecular Weight |
386.488 g/mol |
| Nominal Mass |
386 u |
| Number of Peaks |
104 |
| SMILES |
C1(CC[C@@]2([C@]3(C(C[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])(C(COC(=O)C)=O)[H])C)=O)[H])C)=O |
| SPLASH |
splash10-03kl-9736000000-a1c1ea92df146a6e10ab |
| Source File Reference |
LMCM-46483-995T |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3,11,20-TRIOXOPREGN-4-EN-21-YL ACETATE
2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate |
| Wiley ID |
4_284 |
