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I0G

Summary
Name:(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
Formula:C18 H18 O3
Formal charge:0
Formula weight:282.334 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
OpenEye OEToolkits1.5.0(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1ccc(cc1)C4Oc2c(cc(O)cc2)C3CCCC34
SMILES_CANONICALCACTVS3.341Oc1ccc(cc1)[C@@H]2Oc3ccc(O)cc3[C@@H]4CCC[C@H]24
SMILESCACTVS3.341Oc1ccc(cc1)[CH]2Oc3ccc(O)cc3[CH]4CCC[CH]24
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1[C@H]2[C@H]3CCC[C@H]3c4cc(ccc4O2)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C2C3CCCC3c4cc(ccc4O2)O)O
InChIInChI1.03InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
InChIKeyInChI1.03XIESSJVMWNJCGZ-VKJFTORMSA-N

218500

PDB entries from 2024-04-17

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