| SpectraBase Spectrum ID |
5878wh61Vrz |
| Name |
ANDROSTA-1,4-DIENE-17.BETA.-OL-3-ONE(17.BETA.-ACETATE) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
328.203844759 u |
| Formula |
C21H28O3 |
| InChI |
InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey |
KPCDGGNHYODURF-PXQJOHHUSA-N |
| Molecular Weight |
328.452 g/mol |
| Nominal Mass |
328 u |
| Number of Peaks |
119 |
| SMILES |
C1(C=C[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])(OC(C)=O)[H])C)[H])C)=O |
| SPLASH |
splash10-00fv-4910000000-456ed8193278577154e3 |
| Source File Reference |
LMCM-76076-943N |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3-OXOANDROSTA-1,4-DIEN-17-YL ACETATE
(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl acetate |
| Wiley ID |
4_986 |
