| SpectraBase Compound ID | 2KcSopg2vpr |
|---|---|
| InChI | InChI=1S/C24H40N2O3Si/c1-23-12-10-17(25-27-3)14-16(23)15-20(29-30(5,6)7)22-18-8-9-21(26-28-4)24(18,2)13-11-19(22)23/h14,18-20,22H,8-13,15H2,1-7H3/b25-17-,26-21+/t18-,19-,20+,22-,23-,24-/m0/s1 |
| InChIKey | CSSMYSSMJKBBSE-GHQQSVENSA-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 | LQj6APm4C0t |
|---|---|
| Name | 4-Androsten-7-alpha-ol-3,17-dione, 1TMS, 2MEOX |
| Comments | Derivatization type: 1 TMS (mass: 432.281); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000376; 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/c1-23-12-10-17(25-27-3)14-16(23)15-20(29-30(5,6)7)22-18-8-9-21(26-28-4)24(18,2)13-11-19(22)23/h14,18-20,22H,8-13,15H2,1-7H3/b25-17-,26-21+/t18-,19-,20+,22-,23-,24-/m0/s1 |
| InChIKey | CSSMYSSMJKBBSE-GHQQSVENSA-N |
| Molecular Weight | 432.680 g/mol |
| SMILES | C[C@@]12CC\C(C=C2C[C@]([C@]2([C@@]3(CC\C([C@@]3(C)CC[C@]12[H])=N/OC)[H])[H])(O[Si](C)(C)C)[H])=N\OC |
| SPLASH | splash10-0006-2920000000-c53d8ad5e4098c9e4be9 |
| Source of Spectrum | FM-2019-376-0 |
| Synonyms | 7alpha-Hydroxyandrostenedione, 1TMS, 2MEOX LMST02020071, 1TMS, 2MEOX 7-Hydroxy-4-androstene-3,17-dione, 1TMS, 2MEOX 7alpha-Hydroxyandrost-4-ene-3,17-dione, 1TMS, 2MEOX 7alpha-Hydroxy-4-androstene-3,17-dione, 1TMS, 2MEOX C05296, 1TMS, 2MEOX (7R,8R,9S,10R,13S,14S)-7-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione, 1TMS, 2MEOX (3Z,7R,8R,9S,10R,13S,14S,17E)-10,13-dimethyl-7-((trimethylsilyl)oxy)-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 | 1818063 |