| SpectraBase Compound ID | 79JljJmTaGg |
|---|---|
| InChI | InChI=1S/C23H38N2O2/c1-15(24-26-4)19-8-9-20-18-7-6-16-14-17(25-27-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h16,18-21H,6-14H2,1-5H3/b24-15+,25-17+/t16-,18-,19+,20-,21-,22-,23+/m0/s1 |
| InChIKey | BRBZYVRSVCPKEU-IHOGGHLVSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C23H38N2O2 |
| Exact Mass | 374.293328 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DjSpej0Cpp1 |
|---|---|
| Name | 5-Alpha-pregnan-3,20-dione, 2MEOX |
| Alternate Name(s) | 3,20-Allopregnanedione, 2MEOX 5alpha-Dihydroprogesterone, 2MEOX 5-Alpha-Dihydroprogesterone, 2MEOX Allopregnane-3,20-dione, 2MEOX 3,20-Dioxo-5alpha-pregnane, 2MEOX 5alpha-Pregnane-3,20-dione, 2MEOX (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, 2MEOX (5S,8R,9S,10S,13S,14S,17S,E)-17-((E)-1-(methoxyimino)ethyl)-10,13-dimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one O-methyl oxime |
| Comments | Derivatization type: 2 MEOX (mass: 374.293); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000539; Note: The molecular formula of the structure shown is C21H32O2 - which differs from the formula reported for the mass spectrum (C23H38N2O2) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H38N2O2 |
| InChI | InChI=1S/C23H38N2O2/c1-15(24-26-4)19-8-9-20-18-7-6-16-14-17(25-27-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h16,18-21H,6-14H2,1-5H3/b24-15+,25-17+/t16-,18-,19+,20-,21-,22-,23+/m0/s1 |
| InChIKey | BRBZYVRSVCPKEU-IHOGGHLVSA-N |
| Molecular Weight | 374.569 g/mol |
| SMILES | C\C([C@]1(CC[C@]2([C@@]3(CC[C@]4(C\C(CC[C@]4(C)[C@]3(CC[C@]12C)[H])=N\OC)[H])[H])[H])[H])=N/OC |
| SPLASH | splash10-0f76-4910000000-63cfe7edbd11ff89ca78 |
| Source of Spectrum | FM-2019-539-0 |
| Wiley ID | 1818221 |