| SpectraBase Spectrum ID |
GDX6utACbDM |
| Name |
17.ALPHA.-ETHYNYL-5.ALPHA.-ESTRAN-17.BETA.-OL-3-ONE(3-O-METHYLOXIME) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
329.235479240 u |
| Formula |
C21H31NO2 |
| InChI |
InChI=1S/C21H31NO2/c1-4-21(23)12-10-19-18-7-5-14-13-15(22-24-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,14,16-19,23H,5-13H2,2-3H3/b22-15+/t14-,16-,17+,18+,19-,20-,21-/m0/s1 |
| InChIKey |
NVHHPPFURWXTGH-UIEYTIPFSA-N |
| Molecular Weight |
329.484 g/mol |
| Nominal Mass |
329 u |
| Number of Peaks |
173 |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(CC[C@]4(C\C(CC[C@@]4([C@]3(CC[C@]12C)[H])[H])=N\OC)[H])[H])[H])C#C |
| SPLASH |
splash10-0037-6691000000-5e20bc1911ea2a80b756 |
| Source File Reference |
LMCM-63585-753L |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-ETHYNYL-17-HYDROXYESTRAN-3-ONE O-METHYLOXIME
(1R,3aS,3bR,5aS,9aS,9bR,11aS,E)-17-ethynyl-17-hydroxy-13-methyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one O-methyl oxime |
| Wiley ID |
4_1558 |
