| SpectraBase Compound ID | Kx5WXSq1OHs |
|---|---|
| InChI | InChI=1S/C26H28O3/c1-16-14-21-18(15-23(16)29-25(28)17-6-4-3-5-7-17)8-9-20-19(21)12-13-26(2)22(20)10-11-24(26)27/h3-7,14-15,19-20,22H,8-13H2,1-2H3 |
| InChIKey | WHKKBBJESWAKNJ-UHFFFAOYSA-N |
| Mol Weight | 388.51 g/mol |
| Molecular Formula | C26H28O3 |
| Exact Mass | 388.203845 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 54UUp0LGFsU |
|---|---|
| Name | 2-Methyl-17-oxoestra-1,3,5(10)-trien-3-yl benzoate |
| CAS Registry Number | 51209-86-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H28O3 |
| InChI | InChI=1S/C26H28O3/c1-16-14-21-18(15-23(16)29-25(28)17-6-4-3-5-7-17)8-9-20-19(21)12-13-26(2)22(20)10-11-24(26)27/h3-7,14-15,19-20,22H,8-13H2,1-2H3 |
| InChIKey | WHKKBBJESWAKNJ-UHFFFAOYSA-N |
| Molecular Weight | 388.507 g/mol |
| SMILES | Cc1cc2c(cc1OC(c1ccccc1)=O)CCC1C2CCC2(C)C1CCC2=O |
| SPLASH | splash10-0a4i-1901000000-d9296de4e1820d13a1ee |
| Source of Spectrum | DE-0-55-0 |
| Synonyms | (2,13-dimethyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) benzoate (2,13-dimethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) benzoate benzoic acid (17-keto-2,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) ester benzoic acid (2,13-dimethyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) ester |
| Wiley ID | 1364146 |