| SpectraBase Compound ID | 2vonTsCcXOK |
|---|---|
| InChI | InChI=1S/C24H28O5/c1-14(25)28-13-23(27)22-9-8-21-20-6-4-16-12-17(29-15(2)26)5-7-18(16)19(20)10-11-24(21,22)3/h5,7,9,12,19-21H,4,6,8,10-11,13H2,1-3H3 |
| InChIKey | UMRMHBMFZHQANE-UHFFFAOYSA-N |
| Mol Weight | 396.48 g/mol |
| Molecular Formula | C24H28O5 |
| Exact Mass | 396.193674 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GjSkeXC3tiO |
|---|---|
| Name | 19-Norpregna-1,3,5(10),16-tetraen-20-one, 3,21-bis(acetyloxy)- |
| CAS Registry Number | 42224-72-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H28O5 |
| InChI | InChI=1S/C24H28O5/c1-14(25)28-13-23(27)22-9-8-21-20-6-4-16-12-17(29-15(2)26)5-7-18(16)19(20)10-11-24(21,22)3/h5,7,9,12,19-21H,4,6,8,10-11,13H2,1-3H3 |
| InChIKey | UMRMHBMFZHQANE-UHFFFAOYSA-N |
| Molecular Weight | 396.483 g/mol |
| SMILES | CC(=O)OCC(C1=CCC2C3CCc4cc(ccc4C3CCC12C)OC(C)=O)=O |
| SPLASH | splash10-0f8c-6965000000-b779ec2c4f5a88266cdc |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 17-[2-(Acetyloxy)acetyl]estra-1,3,5(10),16-tetraen-3-yl acetate Acetic acid [2-(3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester [2-(3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate [2-(3-acetoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate [2-(3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] ethanoate |
| Wiley ID | 56779 |