| SpectraBase Compound ID | EPHGUFGCPdD |
|---|---|
| InChI | InChI=1S/C24H40N2O3Si/c1-23-13-12-21-19(20(23)9-10-22(23)26-28-3)8-7-17-15-18(25-27-2)11-14-24(17,21)16-29-30(4,5)6/h15,19-21H,7-14,16H2,1-6H3/b25-18+,26-22-/t19-,20-,21-,23-,24+/m0/s1 |
| InChIKey | QBWVJRPYCBSYJJ-MJHOSPCBSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C24H40N2O3Si |
| Exact Mass | 432.28082 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lg8lrWoBynM |
|---|---|
| Name | 4-Androsten-19-ol-3,17-dione, 1TMS, 2MEOX |
| Comments | Derivatization type: 1 TMS (mass: 432.281); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000380; Note: The molecular formula of the structure shown is C19H26O3 - which differs from the formula reported for the mass spectrum (C24H40N2O3Si) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H40N2O3Si |
| InChI | InChI=1S/C24H40N2O3Si/c1-23-13-12-21-19(20(23)9-10-22(23)26-28-3)8-7-17-15-18(25-27-2)11-14-24(17,21)16-29-30(4,5)6/h15,19-21H,7-14,16H2,1-6H3/b25-18+,26-22-/t19-,20-,21-,23-,24+/m0/s1 |
| InChIKey | QBWVJRPYCBSYJJ-MJHOSPCBSA-N |
| Molecular Weight | 432.680 g/mol |
| SMILES | C[C@@]12CC[C@]3([C@@](CCC4=C\C(CC[C@]34CO[Si](C)(C)C)=N\OC)([C@@]2(CC\C1=N/OC)[H])[H])[H] |
| SPLASH | splash10-000f-3920000000-e03fa545ea660cf5cc49 |
| Source of Spectrum | FM-2019-380-0 |
| Synonyms | 19-Hydroxyandrostenedione, 1TMS, 2MEOX H0379_SIGMA, 1TMS, 2MEOX 19-Hydroxyandrost-4-ene-3,17-dione, 1TMS, 2MEOX 54518_FLUKA, 1TMS, 2MEOX CHEBI:27576, 1TMS, 2MEOX 4-Androsten-19-ol-3,17-dione, 1TMS, 2MEOX (8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione, 1TMS, 2MEOX (3E,8S,9S,10S,13S,14S,17Z)-13-methyl-10-(((trimethylsilyl)oxy)methyl)-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3H-cyclopenta[a]phenanthrene-3,17(2H)-dione O,O-dimethyl dioxime |
| Wiley ID | 1818067 |