| SpectraBase Compound ID | Bsd6FQk5V2f |
|---|---|
| InChI | InChI=1S/C23H28O6/c1-12(24)28-21-11-17-15(10-20(21)27-4)14-7-8-23(3)18(16(14)9-19(17)26)5-6-22(23)29-13(2)25/h10-11,14,16,18,22H,5-9H2,1-4H3 |
| InChIKey | TVXJWAILASCQNQ-UHFFFAOYSA-N |
| Mol Weight | 400.47 g/mol |
| Molecular Formula | C23H28O6 |
| Exact Mass | 400.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Aa92EF4HLcG |
|---|---|
| Name | 17-(Acetyloxy)-2-methoxy-6-oxoestra-1(10),2,4-trien-3-yl acetate |
| CAS Registry Number | 69540-62-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28O6 |
| InChI | InChI=1S/C23H28O6/c1-12(24)28-21-11-17-15(10-20(21)27-4)14-7-8-23(3)18(16(14)9-19(17)26)5-6-22(23)29-13(2)25/h10-11,14,16,18,22H,5-9H2,1-4H3 |
| InChIKey | TVXJWAILASCQNQ-UHFFFAOYSA-N |
| Molecular Weight | 400.471 g/mol |
| SMILES | CC(=O)Oc1cc2c(cc1OC)C1CCC3(C)C(CCC3OC(C)=O)C1CC2=O |
| SPLASH | splash10-0a4i-0019000000-66d40a3489a5de7b52a9 |
| Source of Spectrum | W5-0-0-0 |
| Synonyms | (3-acetoxy-2-methoxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl) acetate (3-acetyloxy-2-methoxy-13-methyl-6-oxidanylidene-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl) ethanoate (3-acetyloxy-2-methoxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl) acetate Acetic acid (3-acetoxy-6-keto-2-methoxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl) ester Acetic acid (3-acetyloxy-2-methoxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl) ester Estra-1,3,5(10)-trien-6-one, 3,17-bis(acetyloxy)-2-methoxy-, (17.beta.)- |
| Wiley ID | 1369467 |