| SpectraBase Compound ID | CsgcWviAZZ8 |
|---|---|
| InChI | InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3 |
| InChIKey | RZRPTBIGEANTGU-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C19H24O3 |
| Exact Mass | 300.172545 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AzwUViznuyG |
|---|---|
| Name | adrenosterone, 2MEOX |
| Alternate Name(s) | ADRENOSTERONE, 2MEOX Reichstein's substance G, 2MEOX Maybridge1_005470, 2MEOX 11-Oxy-4-androstenedione, 2MEOX Androst-4-ene-3,11,17-trione, 2MEOX DivK1c_001758, 2MEOX 10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione, 2MEOX 10,13-dimethyl-6,7,8,9,10,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11,17(2H)-trione |
| Comments | Non-derivatized structure shown; Derivatization type: 2 MEOX (mass: 358.226); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000074; Note: The molecular formula of the structure shown is C19H24O3 - which differs from the formula reported for the mass spectrum (C21H30N2O3) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30N2O3 |
| InChI | InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3 |
| InChIKey | RZRPTBIGEANTGU-UHFFFAOYSA-N |
| Molecular Weight | 300.398 g/mol |
| SMILES | CC12CCC(C=C2CCC2C3CCC(C3(C)CC(C12)=O)=O)=O |
| SPLASH | splash10-0006-1900000000-53ea09f946b98269749a |
| Source of Spectrum | FM-2019-74-0 |
| Wiley ID | 1817770 |