Chem
J-GLOBAL ID：200907022586942518   Nikkaji number：J1.697.352A

(3R,4R)-3,4-Bis(4-fluorophenyl)hexanedioic acid bis[(1R,4R)-3α-(diphenylmethyl)1,7,7-trimethylbicyclo[2.2.1]heptane-2α-yl] ester

(3R,4R)-3,4-ビス(4-フルオロフェニル)ヘキサン二酸ビス[(1R,4R)-3α-(ジフェニルメチル)1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2α-イル]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C64H68F2O4
Molecular formula furigana： C64-H68-F2-O4
Molecular weight： 939.241
InChI： InChI=1S/C64H68F2O4/c1-61(2)51-35-37-63(61,5)59(57(51)55(43-19-11-7-12-20-43)44-21-13-8-14-22-44)69-53(67)39-49(41-27-31-47(65)32-28-41)50(42-29-33-48(66)34-30-42)40-54(68)70-60-58(52-36-38-64(60,6)62(52,3)4)56(45-23-15-9-16-24-45)46-25-17-10-18-26-46/h7-34,49-52,55-60H,35-40H2,1-6H3/t49-,50-,51+,52+,57-,58-,59+,60+,63-,64-/m0/s1
InChI key： FWMQCQRSOFUVIS-UXPSWHGBSA-N
SMILES： CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)C[C@H]([C@@H](CC(=O)O[C@@H]1[C@H](C(c3ccccc3)c3ccccc3)[C@H]3CC[C@]1(C)C3(C)C)c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]2C(c1ccccc1)c1ccccc1
Systematic name  (3)：
  • (3R,4R)-3,4-ビス(4-フルオロフェニル)ヘキサン二酸ビス[(1R,4R)-3α-(ジフェニルメチル)1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2α-イル]
  • ビス[(1R,2R,3S,4R)-3-(ジフェニルメチル)-1,7,7-トリメチルビシクロ[2.2.1]ヘプタン-2-イル] (3R,4R)-3,4-ビス(4-フルオロフェニル)ヘキサンジオアート
  • bis[(1R,2R,3S,4R)-3-(diphenylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl] (3R,4R)-3,4-bis(4-fluorophenyl)hexanedioate
Other name (1)：
  • (3R,4R)-3,4-Bis(4-fluorophenyl)hexanedioic acid bis[(1R,4R)-3α-(diphenylmethyl)1,7,7-trimethylbicyclo[2.2.1]heptane-2α-yl] ester
Thsaurus map：
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