| SpectraBase Compound ID | UgFuFaWDRS |
|---|---|
| InChI | InChI=1S/C21H34N2O2/c1-20-11-9-15(22-24-3)13-14(20)5-6-16-17-7-8-19(23-25-4)21(17,2)12-10-18(16)20/h14,16-18H,5-13H2,1-4H3/b22-15+,23-19-/t14-,16+,17+,18+,20+,21+/m1/s1 |
| InChIKey | BJYDBUAIVDUZAY-AYDOLXGLSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C21H34N2O2 |
| Exact Mass | 346.262028 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 736nVYYwGuD |
|---|---|
| Name | 5-beta-androstan-3,17-dione, 2MEOX |
| Alternate Name(s) | Etiocholanedione, 2MEOX 1dbk, 2MEOX 5beta-Androstanedione, 2MEOX 5beta-androstane-3,17-dione, 2MEOX Etiocholane-3,17-dione, 2MEOX 5-Beta-Androstane-3,17-Dione, 2MEOX (5R,8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione, 2MEOX (3E,5R,8R,9S,10S,13S,14S,17Z)-10,13-dimethyltetradecahydro-3H-cyclopenta[a]phenanthrene-3,17(2H)-dione O,O-dimethyl dioxime |
| Comments | Derivatization type: 2 MEOX (mass: 346.262); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000371; Note: The molecular formula of the structure shown is C19H28O2 - which differs from the formula reported for the mass spectrum (C21H34N2O2) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34N2O2 |
| InChI | InChI=1S/C21H34N2O2/c1-20-11-9-15(22-24-3)13-14(20)5-6-16-17-7-8-19(23-25-4)21(17,2)12-10-18(16)20/h14,16-18H,5-13H2,1-4H3/b22-15+,23-19-/t14-,16+,17+,18+,20+,21+/m1/s1 |
| InChIKey | BJYDBUAIVDUZAY-AYDOLXGLSA-N |
| Molecular Weight | 346.515 g/mol |
| SMILES | C[C@@]12CC\C(C[C@]2(CC[C@]2([C@@]3(CC\C([C@@]3(C)CC[C@]12[H])=N\OC)[H])[H])[H])=N/OC |
| SPLASH | splash10-052f-3920000000-d2272458b49dc315aeb8 |
| Source of Spectrum | FM-2019-371-0 |
| Wiley ID | 1818058 |