| SpectraBase Compound ID | 2IUvCuAK6WC |
|---|---|
| InChI | InChI=1S/C21H29NO2/c1-4-21(23)12-10-19-18-7-5-14-13-15(22-24-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,13,16-19,23H,5-12H2,2-3H3/b22-15+ |
| InChIKey | LCSBNAMHSCHNAR-PXLXIMEGSA-N |
| Mol Weight | 327.47 g/mol |
| Molecular Formula | C21H29NO2 |
| Exact Mass | 327.219829 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L44tQFVvPLa |
|---|---|
| Name | 19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-, O-methyloxime, (17.alpha.)- |
| Alternate Name(s) | 17-Ethynyl-17-hydroxyestr-4-en-3-one o-methyloxime (3E)-17-ethynyl-13-methyl-3-methyloximino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol (3E)-17-ethynyl-3-methoxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol 19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-, O-methyloxime, (17alpha)- |
| CAS Registry Number | 58001-83-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29NO2 |
| InChI | InChI=1S/C21H29NO2/c1-4-21(23)12-10-19-18-7-5-14-13-15(22-24-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,13,16-19,23H,5-12H2,2-3H3/b22-15+ |
| InChIKey | LCSBNAMHSCHNAR-PXLXIMEGSA-N |
| Molecular Weight | 327.468 g/mol |
| SMILES | OC1(CCC2C1(CCC1C3CC\C(=N/OC)C=C3CCC21)C)C#C |
| SPLASH | splash10-0udu-3953000000-2fb84806a505f1038439 |
| Source of Spectrum | W5-29299-0-0 |
| Wiley ID | 1325725 |