| SpectraBase Compound ID | GZ0tawg4zb9 |
|---|---|
| InChI | InChI=1S/C28H47NO/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-30-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h18-20,23-26H,7-17H2,1-6H3/b29-22- |
| InChIKey | ANJYUACJDKITGZ-IADYIPOJSA-N |
| Mol Weight | 413.7 g/mol |
| Molecular Formula | C28H47NO |
| Exact Mass | 413.365765 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1c1tkhiSiO |
|---|---|
| Name | 4-Cholesten-3-one, 1MEOX |
| Alternate Name(s) | Cholestenone, 1MEOX Cholest-4-en-3-one, 1MEOX 3-Oxocholest-4-ene, 1MEOX 4-Cholesten-3-one, 1MEOX delta-4-Cholesten-3-one, 1MEOX NCIOpen2_008122, 1MEOX 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, 1MEOX (Z)-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one O-methyl oxime |
| Comments | Derivatization type: 1 MEOX (mass: 413.366); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000111; Note: The molecular formula of the structure shown is C27H44O - which differs from the formula reported for the mass spectrum (C28H47NO) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H47NO |
| InChI | InChI=1S/C28H47NO/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-30-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h18-20,23-26H,7-17H2,1-6H3/b29-22- |
| InChIKey | ANJYUACJDKITGZ-IADYIPOJSA-N |
| Molecular Weight | 413.690 g/mol |
| SMILES | CC(C)CCCC(C)C1CCC2C3CCC4=C\C(CCC4(C)C3CCC12C)=N/OC |
| SPLASH | splash10-0ug3-2900000000-81a520f7daf07a7db41f |
| Source of Spectrum | FM-2019-111-0 |
| Wiley ID | 1817805 |