| SpectraBase Compound ID | 6C9cMZilOKs |
|---|---|
| InChI | InChI=1S/C22H28O3/c1-13(21(24)25-3)19-8-9-20-18-6-4-14-12-15(23)5-7-16(14)17(18)10-11-22(19,20)2/h5,7,12,17-18,20,23H,4,6,8-11H2,1-3H3/b19-13+ |
| InChIKey | OGCKSXMDXSHSML-CPNJWEJPSA-N |
| Mol Weight | 340.46 g/mol |
| Molecular Formula | C22H28O3 |
| Exact Mass | 340.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4PFanGm0Bj8 |
|---|---|
| Name | 19-Norpregna-1,3,5(10),17(20)-tetraene-20-carboxylic acid, 3-hydroxy-, methyl ester |
| CAS Registry Number | 55399-33-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O3 |
| InChI | InChI=1S/C22H28O3/c1-13(21(24)25-3)19-8-9-20-18-6-4-14-12-15(23)5-7-16(14)17(18)10-11-22(19,20)2/h5,7,12,17-18,20,23H,4,6,8-11H2,1-3H3/b19-13+ |
| InChIKey | OGCKSXMDXSHSML-CPNJWEJPSA-N |
| Molecular Weight | 340.463 g/mol |
| SMILES | Oc1ccc2c(CCC3C4CC\C(=C/(C(OC)=O)C)C4(CCC23)C)c1 |
| SPLASH | splash10-0a4j-0921000000-1afc5422d592ce752b4e |
| Source of Spectrum | T-68-4919-0 |
| Synonyms | Methyl (2E)-2-[3-hydroxyestra-1,3,5(10)-trien-17-ylidene]propanoate (2E)-2-(3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)propanoic acid methyl ester (2E)-2-(3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)propionic acid methyl ester Methyl (2E)-2-(13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)propanoate Methyl (2E)-2-(3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene)propanoate |
| Wiley ID | 50760 |