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7G0

Summary
Name:(1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol
Formula:C16 H22 O2
Formal charge:0
Formula weight:246.345 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol
OpenEye OEToolkits2.0.6(1~{S},3~{a}~{S},5~{S},7~{a}~{S})-5-(4-hydroxyphenyl)-7~{a}-methyl-1,2,3,3~{a},4,5,6,7-octahydroinden-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(ccc(c1)C2CC3C(CC2)(C(CC3)O)C)O
InChIInChI1.03InChI=1S/C16H22O2/c1-16-9-8-12(10-13(16)4-7-15(16)18)11-2-5-14(17)6-3-11/h2-3,5-6,12-13,15,17-18H,4,7-10H2,1H3/t12-,13-,15-,16-/m0/s1
InChIKeyInChI1.03CEOUGJNTPKXUFS-SDADXPQNSA-N
SMILES_CANONICALCACTVS3.385C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(O)cc3
SMILESCACTVS3.385C[C]12CC[CH](C[CH]1CC[CH]2O)c3ccc(O)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(cc3)O
SMILESOpenEye OEToolkits2.0.6CC12CCC(CC1CCC2O)c3ccc(cc3)O

221716

PDB entries from 2024-06-26

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