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ESE

Summary
Name:(1S,3aR,5R,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,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol
OpenEye OEToolkits1.7.6(1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1ccc(cc1)C3CCC2(C(CCC2O)C3)C
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+/m1/s1
InChIKeyInChI1.03CEOUGJNTPKXUFS-VDERGJSUSA-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 OEToolkits1.7.6C[C@]12CC[C@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3)O
SMILESOpenEye OEToolkits1.7.6CC12CCC(CC1CCC2O)c3ccc(cc3)O

223166

數據於2024-07-31公開中

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