6WU

(1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol


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Chemical Component Summary

Name(1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol
Identifiers(1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol
FormulaC16 H18 F2 O2
Molecular Weight280.31
TypeNON-POLYMER
Isomeric SMILESC[C@]12CC=C(C[C@H]1CC[C@@H]2O)c3cc(c(cc3F)O)F
InChIInChI=1S/C16H18F2O2/c1-16-5-4-9(6-10(16)2-3-15(16)20)11-7-13(18)14(19)8-12(11)17/h4,7-8,10,15,19-20H,2-3,5-6H2,1H3/t10-,15+,16+/m1/s1
InChIKeyIDSMMMGNALFBJL-VFVAKGGASA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count3
Bond Count40
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 118708743
ChEMBL CHEMBL3318248