| SpectraBase Compound ID | RGEXlyBNTM |
|---|---|
| InChI | InChI=1S/C22H26O5/c1-12(23)26-14-4-5-15-16-8-9-22(3)19(6-7-21(22)25)17(16)11-20(18(15)10-14)27-13(2)24/h4-5,10,16-17,19-20H,6-9,11H2,1-3H3 |
| InChIKey | LLTFBRKKITYLTP-UHFFFAOYSA-N |
| Mol Weight | 370.45 g/mol |
| Molecular Formula | C22H26O5 |
| Exact Mass | 370.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BdkCPEkiqve |
|---|---|
| Name | 3-(Acetyloxy)-17-oxoestra-1(10),2,4-trien-6-yl acetate |
| CAS Registry Number | 7323-90-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26O5 |
| InChI | InChI=1S/C22H26O5/c1-12(23)26-14-4-5-15-16-8-9-22(3)19(6-7-21(22)25)17(16)11-20(18(15)10-14)27-13(2)24/h4-5,10,16-17,19-20H,6-9,11H2,1-3H3 |
| InChIKey | LLTFBRKKITYLTP-UHFFFAOYSA-N |
| Molecular Weight | 370.445 g/mol |
| SMILES | CC(=O)Oc1ccc2c(c1)C(CC1C2CCC2(C)C1CCC2=O)OC(C)=O |
| SPLASH | splash10-014i-1491000000-768928100b09e3a58ec9 |
| Source of Spectrum | W5-0-0-0 |
| Synonyms | (3-acetoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl) acetate (3-acetyloxy-13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl) ethanoate (3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl) acetate Acetic acid (3-acetoxy-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl) ester Acetic acid (3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl) ester Estra-1,3,5(10)-trien-17-one, 3,6-bis(acetyloxy)-, (6.beta.)- |
| Wiley ID | 1354457 |