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SummaryGeometryRelated PDB entries

7BE

Summary
Name:(2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid
Formula:C26 H30 O4
Formal charge:0
Formula weight:406.514 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C26H30O4/c1-24(2)11-12-25(3,4)20-15-22-17(14-19(20)24)8-10-26(30-22)9-7-16-13-18(23(27)28)5-6-21(16)29-26/h5-6,13-15H,7-12H2,1-4H3,(H,27,28)/t26-/m0/s1
InChIKeyInChI1.03BWUCHLRCLVDMCC-SANMLTNESA-N
SMILES_CANONICALCACTVS3.385CC1(C)CCC(C)(C)c2cc3O[C@@]4(CCc5cc(ccc5O4)C(O)=O)CCc3cc12
SMILESCACTVS3.385CC1(C)CCC(C)(C)c2cc3O[C]4(CCc5cc(ccc5O4)C(O)=O)CCc3cc12
SMILES_CANONICALOpenEye OEToolkits2.0.6CC1(CCC(c2c1cc3c(c2)O[C@@]4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C
SMILESOpenEye OEToolkits2.0.6CC1(CCC(c2c1cc3c(c2)OC4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C

219140

PDB entries from 2024-05-01

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