| SpectraBase Spectrum ID |
Bfl00xSFBr6 |
| Name |
5.ALPHA.-ANDROSTAN-16.BETA.-OL-3,6-DIONE(16.BETA.-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)25-14-9-17-15-10-19(24)18-8-13(23)4-7-21(18,3)16(15)5-6-20(17,2)11-14/h14-18H,4-11H2,1-3H3/t14-,15+,16-,17-,18+,20+,21+/m0/s1 |
| InChIKey |
QROYFBNPUAGLEU-UBYIZVQESA-N |
| Molecular Weight |
346.467 g/mol |
| Nominal Mass |
346 u |
| Number of Peaks |
182 |
| SMILES |
C1(CC[C@@]2([C@]3(CC[C@@]4(C[C@](C[C@]4([C@@]3(CC([C@]2(C1)[H])=O)[H])[H])(OC(C)=O)[H])C)[H])C)=O |
| SPLASH |
splash10-00s9-5694000000-2e1ce4d018364e90518a |
| Source File Reference |
LMCM-33620-934Q |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3,6-DIOXOANDROSTAN-16-YL ACETATE
(5S,8S,9S,10R,13R,14S,16S)-10,13-dimethyl-3,6-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate |
| Wiley ID |
4_760 |
