| SpectraBase Compound ID | HRra9KNucSN |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h4-7,12,18-21H,8-11H2,1-3H3 |
| InChIKey | VKGRYSOZQFGDCK-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JcCeN9WDPgd |
|---|---|
| Name | Estra-1,3,5(10),6-tetraene-3,17-diol, diacetate, (17.beta.)- |
| CAS Registry Number | 1971-65-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h4-7,12,18-21H,8-11H2,1-3H3 |
| InChIKey | VKGRYSOZQFGDCK-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | CC(=O)OC1CCC2C3C=Cc4cc(OC(C)=O)ccc4C3CCC12C |
| SPLASH | splash10-0w29-5597000000-aa0f12d84ec20a44e20b |
| Source of Spectrum | JX-2015-3-1166 |
| Synonyms | 17-(Acetyloxy)estra-1,3,5(10),6-tetraen-3-yl acetate (3-acetoxy-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) acetate (3-acetyloxy-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) acetate (3-acetyloxy-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) ethanoate Acetic acid (3-acetoxy-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) ester 13-Methyl-9,11,12,13,14,15,16,17-octahydro-8H-cyclopenta[a]phenanthrene-3,17-diyl diacetate Acetic acid (3-acetyloxy-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) ester |
| Wiley ID | 1724675 |