| SpectraBase Spectrum ID |
DEkuaV9KLv9 |
| Name |
21-ACETOXY-11.BETA.,17.ALPHA.-DIHYDROXY-PREGN-4-ENE-3,20-DIONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
404.219888744 u |
| Formula |
C23H32O6 |
| InChI |
InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1 |
| InChIKey |
ALEXXDVDDISNDU-JZYPGELDSA-N |
| Molecular Weight |
404.503 g/mol |
| Nominal Mass |
404 u |
| Number of Peaks |
149 |
| SMILES |
O[C@]1([C@]2(C[C@@]([C@@]3([C@]4(CCC(C=C4CC[C@]3([C@@]2(CC1)[H])[H])=O)C)[H])(O)[H])C)C(COC(=O)C)=O |
| SPLASH |
splash10-0006-7973000000-385958d3285e9395e6c7 |
| Source File Reference |
LMCM-45275-894W |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
11,17-DIHYDROXY-3,20-DIOXOPREGN-4-EN-21-YL ACETATE
2-((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-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_135 |
