Chem
J-GLOBAL ID：200907012917433125   Nikkaji number：J1.834.629J

β,β′-Bi[hydrocinnamic acid (1β,4R)-4,7,7-trimethyl-2β-(diphenylmethyl)bicyclo[2.2.1]heptane-3β-yl] ester

β,β′-ビ[ヒドロけい皮酸(1β,4R)-4,7,7-トリメチル-2β-(ジフェニルメチル)ビシクロ[2.2.1]ヘプタン-3β-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： C64H70O4
Molecular formula furigana： C64-H70-O4
Molecular weight： 903.260
InChI： InChI=1S/C64H70O4/c1-61(2)51-37-39-63(61,5)59(57(51)55(45-29-17-9-18-30-45)46-31-19-10-20-32-46)67-53(65)41-49(43-25-13-7-14-26-43)50(44-27-15-8-16-28-44)42-54(66)68-60-58(52-38-40-64(60,6)62(52,3)4)56(47-33-21-11-22-34-47)48-35-23-12-24-36-48/h7-36,49-52,55-60H,37-42H2,1-6H3/t49?,50?,51-,52-,57+,58+,59-,60-,63+,64+/m1/s1
InChI key： OBDFFBXBZDKBJC-ACDRWWAPSA-N
SMILES： CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)CC(C(CC(=O)O[C@@H]1[C@H](C(c3ccccc3)c3ccccc3)[C@H]3CC[C@]1(C)C3(C)C)c1ccccc1)c1ccccc1)[C@@H]2C(c1ccccc1)c1ccccc1
Systematic name  (3)：
  • β,β′-ビ[ヒドロけい皮酸(1β,4R)-4,7,7-トリメチル-2β-(ジフェニルメチル)ビシクロ[2.2.1]ヘプタン-3β-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] 3,4-ジ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] 3,4-diphenylhexanedioate
Other name (1)：
  • β,β′-Bi[hydrocinnamic acid (1β,4R)-4,7,7-trimethyl-2β-(diphenylmethyl)bicyclo[2.2.1]heptane-3β-yl] ester
Thsaurus map：
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