![Estra-1,3,5(10)-triene-17-carbonitrile, 3-methoxy-17-[(trifluoroacetyl)oxy]-, (17.beta.)-](/api/spectrum/4UvQTZ8Y8s9/structure.png?h=300&w=458 "Estra-1,3,5(10)-triene-17-carbonitrile, 3-methoxy-17-[(trifluoroacetyl)oxy]-, (17.beta.)-")
| SpectraBase Compound ID | 9ES4oiFuqo4 |
|---|---|
| InChI | InChI=1S/C22H24F3NO3/c1-20-9-7-16-15-6-4-14(28-2)11-13(15)3-5-17(16)18(20)8-10-21(20,12-26)29-19(27)22(23,24)25/h4,6,11,16-18H,3,5,7-10H2,1-2H3 |
| InChIKey | MGMOUDOXWKKITF-UHFFFAOYSA-N |
| Mol Weight | 407.43 g/mol |
| Molecular Formula | C22H24F3NO3 |
| Exact Mass | 407.170828 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4UvQTZ8Y8s9 |
|---|---|
| Name | Estra-1,3,5(10)-triene-17-carbonitrile, 3-methoxy-17-[(trifluoroacetyl)oxy]-, (17.beta.)- |
| CAS Registry Number | 56438-19-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H24F3NO3 |
| InChI | InChI=1S/C22H24F3NO3/c1-20-9-7-16-15-6-4-14(28-2)11-13(15)3-5-17(16)18(20)8-10-21(20,12-26)29-19(27)22(23,24)25/h4,6,11,16-18H,3,5,7-10H2,1-2H3 |
| InChIKey | MGMOUDOXWKKITF-UHFFFAOYSA-N |
| Molecular Weight | 407.433 g/mol |
| SMILES | CC12CCC3c4ccc(cc4CCC3C2CCC1(C#N)OC(C(F)(F)F)=O)OC |
| SPLASH | splash10-001j-2940000000-301b146bbcb096edd791 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 17-Cyano-3-methoxyestra-1,3,5(10)-trien-17-yl trifluoroacetate (17-cyano-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) 2,2,2-trifluoroacetate (17-cyano-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) 2,2,2-tris(fluoranyl)ethanoate 2,2,2-trifluoroacetic acid (17-cyano-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) ester |
| Wiley ID | 1372569 |