| SpectraBase Compound ID | CfxKBoXC8TI |
|---|---|
| InChI | InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1 |
| InChIKey | XGUHPTGEXRHMQQ-BGJMDTOESA-N |
| Mol Weight | 302.41 g/mol |
| Molecular Formula | C19H26O3 |
| Exact Mass | 302.188195 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1t4LXxJ7hnO |
|---|---|
| Name | 4-Androsten-19-ol-3,17-dione, 2TMS, 2MEOX |
| Comments | Non-derivatized structure shown; Derivatization type: 2 TMS (mass: 504.32); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000379; Note: The molecular formula of the structure shown is C19H26O3 - which differs from the formula reported for the mass spectrum (C27H48N2O3Si2) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H48N2O3Si2 |
| InChI | InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1 |
| InChIKey | XGUHPTGEXRHMQQ-BGJMDTOESA-N |
| Molecular Weight | 302.414 g/mol |
| SMILES | OC[C@@]12CCC(C=C2CC[C@]2([C@@]3(CCC([C@@]3(C)CC[C@]12[H])=O)[H])[H])=O |
| SPLASH | splash10-052o-2920000000-a68d6a81607b901a2be1 |
| Source of Spectrum | FM-2019-379-0 |
| Synonyms | 19-Hydroxyandrostenedione, 2TMS, 2MEOX H0379_SIGMA, 2TMS, 2MEOX 19-Hydroxyandrost-4-ene-3,17-dione, 2TMS, 2MEOX 54518_FLUKA, 2TMS, 2MEOX CHEBI:27576, 2TMS, 2MEOX 4-Androsten-19-ol-3,17-dione, 2TMS, 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, 2TMS, 2MEOX (8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3H-cyclopenta[a]phenanthrene-3,17(2H)-dione |
| Wiley ID | 1818066 |