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DC8

Summary
Name:(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL
Formula:C18 H16 F2 O3
Formal charge:0
Formula weight:318.315 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC4(F)CC2C(c3c(OC2c1ccc(O)cc1)ccc(O)c3)C4
SMILES_CANONICALCACTVS3.341Oc1ccc(cc1)[C@@H]2Oc3ccc(O)cc3[C@@H]4CC(F)(F)C[C@H]24
SMILESCACTVS3.341Oc1ccc(cc1)[CH]2Oc3ccc(O)cc3[CH]4CC(F)(F)C[CH]24
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C2C3CC(CC3c4cc(ccc4O2)O)(F)F)O
InChIInChI1.03InChI=1S/C18H16F2O3/c19-18(20)8-14-13-7-12(22)5-6-16(13)23-17(15(14)9-18)10-1-3-11(21)4-2-10/h1-7,14-15,17,21-22H,8-9H2/t14-,15-,17-/m0/s1
InChIKeyInChI1.03QJSMFUTULGSHNQ-ZOBUZTSGSA-N

222415

数据于2024-07-10公开中

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