| SpectraBase Spectrum ID |
B2smUY0d63c |
| Name |
17.ALPHA.-METHYLANDROSTA-1,4-DIENE-17.BETA.-OL-3-ONE |
| CAS Registry Number |
72-63-9 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
300.208930140 u |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1 |
| InChIKey |
XWALNWXLMVGSFR-HLXURNFRSA-N |
| Molecular Weight |
300.442 g/mol |
| Nominal Mass |
300 u |
| Number of Peaks |
111 |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(CCC4=CC(C=C[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])C |
| SPLASH |
splash10-00di-3940000000-abb93d089b4f72ab7a6c |
| Source File Reference |
LMCM-81550-065F |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
METHANDROSTENOLONE
17-HYDROXY-17-METHYLANDROSTA-1,4-DIEN-3-ONE
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one |
| Wiley ID |
4_1993 |
