CHEBI:79824 - 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
ChEBI ID CHEBI:79824
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H32F2O2
Net Charge 0
Average Mass 366.48510
Monoisotopic Mass 366.23704
InChI InChI=1S/C22H32F2O2/c1-12(25)26-19-7-6-15-14-5-4-13-10-17-18(22(17,23)24)11-21(13,3)16(14)8-9-20(15,19)2/h13-19H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey BRZLCOPFROJRBE-WMFBMNODSA-N
SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)C5(F)F
ChEBI Ontology
Outgoing 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate (CHEBI:79824) is a steroid ester (CHEBI:47880)
Manual Xref Database
C15322 KEGG COMPOUND
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