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ETC

Summary
Name:(R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL
Formula:C22 H24 O2
Formal charge:0
Formula weight:320.425 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol
OpenEye OEToolkits1.5.0(5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc4cc3c(C2=C(c1ccc(O)cc1CC2CC)C(CC)C3)cc4
SMILES_CANONICALCACTVS3.341CC[C@@H]1Cc2cc(O)ccc2C3=C1c4ccc(O)cc4C[C@H]3CC
SMILESCACTVS3.341CC[CH]1Cc2cc(O)ccc2C3=C1c4ccc(O)cc4C[CH]3CC
SMILES_CANONICALOpenEye OEToolkits1.5.0CC[C@@H]1Cc2cc(ccc2C3=C1c4ccc(cc4C[C@H]3CC)O)O
SMILESOpenEye OEToolkits1.5.0CCC1Cc2cc(ccc2C3=C1c4ccc(cc4CC3CC)O)O
InChIInChI1.03InChI=1S/C22H24O2/c1-3-13-9-15-11-17(23)6-8-20(15)22-14(4-2)10-16-12-18(24)5-7-19(16)21(13)22/h5-8,11-14,23-24H,3-4,9-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyInChI1.03MASYAWHPJCQLSW-ZIAGYGMSSA-N

222415

건을2024-07-10부터공개중

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