SpectraBase Spectrum ID |
Bjks6Ejyuf8 |
Name |
5.ALPHA.-ANDROSTAN-16.BETA.-OL-3,11-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)25-15-9-17-16-5-4-13-8-14(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-JTCZOXOYSA-N |
Molecular Weight |
346.467 g/mol |
Nominal Mass |
346 u |
Number of Peaks |
198 |
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 |
splash10-0f72-5963000000-d22b10d7984b42525560 |
Source File Reference |
LMCM-53791-364T |
Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
Synonyms |
3,11-DIOXOANDROSTAN-16-YL ACETATE
(5S,8S,9S,10S,13S,14S,16S)-10,13-dimethyl-3,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-16-yl acetate |
Wiley ID |
4_742 |