| SpectraBase Spectrum ID |
6jDhw8RhGeV |
| Name |
11.BETA.-21-ACETOXY-11,17-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 |
281 |
| 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 |
splash10-0006-8961000000-dca9e2210fe9273114c0 |
| Source File Reference |
LMCM-26363-329C |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
11,17-DIHYDROXY-3,20-DIOXOPREGN-4-EN-21-YL ACETATE
PREGN-4-ENE-3,20-DIONE, 21-(ACETYLOXY)-11,17-DIHYDROXY-, (11.BETA.)-
2-[(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-14-yl]-2-oxoethyl acetate |
| Wiley ID |
8_25496 |
