CHEBI:79435 - 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one
ChEBI ID CHEBI:79435
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H28F2O2
Net Charge 0
Average Mass 338.43190
Monoisotopic Mass 338.20574
InChI InChI=1S/C20H28F2O2/c1-17-9-8-16(23)20(21,22)15(17)5-4-12-13(17)6-10-18(2)14(12)7-11-19(18,3)24/h5,12-14,24H,4,6-11H2,1-3H3/t12-,13+,14+,17-,18+,19+/m1/s1
InChIKey XRZWBBRIKOQLPC-TULRTYAESA-N
SMILES C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C(F)(F)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one (CHEBI:79435) is a 3-oxo-Δ5-steroid (CHEBI:47907)
Manual Xref Database
C14910 KEGG COMPOUND
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Last Modified
03 May 2017