CHEBI:79842 - 20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol

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ChEBI Name 20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
ChEBI ID CHEBI:79842
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H25F3O2
Net Charge 0
Average Mass 366.41720
Monoisotopic Mass 366.18066
InChI InChI=1S/C21H25F3O2/c1-20-9-7-15-14-6-4-13(26-2)11-12(14)3-5-16(15)17(20)8-10-21(20,25)18(22)19(23)24/h4,6,11,15-17,25H,3,5,7-10H2,1-2H3/t15-,16-,17+,20+,21-/m1/s1
InChIKey AWUGBSODAQALNP-JPDLMGPVSA-N
SMILES COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C(F)=C(F)F)[C@@H]3CCc2c1
ChEBI Ontology
Outgoing 20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol (CHEBI:79842) has parent hydride pregnane (CHEBI:8386)
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol (CHEBI:79842) is a steroid (CHEBI:35341)
Synonym Source
17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiol KEGG COMPOUND
Manual Xref Database
C15340 KEGG COMPOUND
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