Fenestrel | |
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Molecular structure via molpic based on CDK |
Physical properties [] | |
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Molecular mass | 244.33 g/mol [1] |
Predicted LogP | 3.8 [1] |
Structural Identifiers [] | |
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Molecular formula | C16H20O2 [1] |
IUPAC name | 5-ethyl-6-methyl-4-phenylcyclohex-3-ene-1-carboxylic acid [1] |
SMILES | CCC1C(C(CC=C1C2=CC=CC=C2)C(=O)O)C [1] |
InChI | InChI=1S/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18) [1] |
InChIKey | CLMFEXDZPBGYQQ-UHFFFAOYSA-N [1] |
Fenestrel
Fenestrel (also known as Fenestrelum, Fenestrelo, ORF 3858, 5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid, AI3-62334, 3-Cyclohexene-1-carboxylic acid, 5-ethyl-6-methyl-4-phenyl-, 2-Methyl-3-ethyl-4-phenyl-4-cyclohexene carboxylic acid, 2-Methyl-3-ethyl-4-phenyl-4-cyclohexenecarboxylic acid, 2-Methyl-3-ethyl-4-phenyl-Δ(sup 4)-cyclohexenecarboxylic acid or Demethoxyhoggolic acid)
Chemistry
Stereochemistry []
Fenestrel is a mixed mixture