| SpectraBase Spectrum ID |
BjWpCnqPJFr |
| Name |
5.ALPHA.-ANDROSTAN-16.ALPHA.-OL-3,11-DIONE(16.ALPHA.-ACETATE) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
346.214409442 u |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-12(22)25-15-9-17-16-5-4-13-8-14(23)6-7-21(13,3)19(16)18(24)11-20(17,2)10-15/h13,15-17,19H,4-11H2,1-3H3/t13-,15+,16-,17-,19+,20-,21-/m0/s1 |
| InChIKey |
KFJNAZHCEAIWGF-YQVBJQERSA-N |
| Molecular Weight |
346.467 g/mol |
| Nominal Mass |
346 u |
| Number of Peaks |
112 |
| SMILES |
C1(CC[C@@]2([C@]3(C(C[C@@]4(C[C@@](C[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])(OC(C)=O)[H])C)=O)[H])C)=O |
| SPLASH |
splash10-000l-4492000000-c5227a4cddbed86f531b |
| Source File Reference |
LMCM-48933-978N |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3,11-DIOXOANDROSTAN-16-YL ACETATE
(5S,8S,9S,10S,13S,14S,16R)-10,13-dimethyl-3,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate |
| Wiley ID |
4_745 |
