5CE

(1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol


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Chemical Component Summary

Name(1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol
Identifiers(1S,3aR,5S,7aS)-7a-methyl-5-[4-oxidanyl-2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,7-octahydroinden-1-ol
FormulaC17 H21 F3 O2
Molecular Weight314.343
TypeNON-POLYMER
Isomeric SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3C(F)(F)F)O
InChIInChI=1S/C17H21F3O2/c1-16-7-6-10(8-11(16)2-5-15(16)22)13-4-3-12(21)9-14(13)17(18,19)20/h3-4,9-11,15,21-22H,2,5-8H2,1H3/t10-,11+,15-,16-/m0/s1
InChIKeyXVVWOISMGPCHID-OJXGSEEGSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count4
Bond Count45
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 50940843
ChEMBL CHEMBL1650941