Chemical Component Summary

Name(1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol
Identifiers(1S,3aR,5S,7aS)-5-[2,3-bis(fluoranyl)-4-oxidanyl-phenyl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-ol
FormulaC16 H20 F2 O2
Molecular Weight282.326
TypeNON-POLYMER
Isomeric SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(c(c3F)F)O
InChIInChI=1S/C16H20F2O2/c1-16-7-6-9(8-10(16)2-5-13(16)20)11-3-4-12(19)15(18)14(11)17/h3-4,9-10,13,19-20H,2,5-8H2,1H3/t9-,10+,13-,16-/m0/s1
InChIKeyFMZIZJJWAWAKON-SKILGCBUSA-N

Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count4
Bond Count42
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 50940846
ChEMBL CHEMBL1651143