Chem
J-GLOBAL ID：200907090027405184   Nikkaji number：J1.697.349A

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

(3R,4R)-3,4-ビス(2-メトキシフェニル)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： C66H74O6
Molecular formula furigana： C66-H74-O6
Molecular weight： 963.312
InChI： InChI=1S/C66H74O6/c1-63(2)51-37-39-65(63,5)61(59(51)57(43-25-13-9-14-26-43)44-27-15-10-16-28-44)71-55(67)41-49(47-33-21-23-35-53(47)69-7)50(48-34-22-24-36-54(48)70-8)42-56(68)72-62-60(52-38-40-66(62,6)64(52,3)4)58(45-29-17-11-18-30-45)46-31-19-12-20-32-46/h9-36,49-52,57-62H,37-42H2,1-8H3/t49-,50-,51+,52+,59-,60-,61+,62+,65-,66-/m0/s1
InChI key： GBTMAGRAGGRZOV-VLULRYLDSA-N
SMILES： COc1ccccc1[C@H](CC(=O)O[C@@H]1[C@H](C(c2ccccc2)c2ccccc2)[C@H]2CC[C@]1(C)C2(C)C)[C@@H](CC(=O)O[C@@H]1[C@H](C(c2ccccc2)c2ccccc2)[C@H]2CC[C@]1(C)C2(C)C)c1ccccc1OC
Systematic name  (3)：
  • (3R,4R)-3,4-ビス(2-メトキシフェニル)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(2-メトキシフェニル)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(2-methoxyphenyl)hexanedioate
Other name (1)：
  • (3R,4R)-3,4-Bis(2-methoxyphenyl)hexanedioic acid bis[(1R,4R)-3α-(diphenylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2α-yl] ester
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