Chem
J-GLOBAL ID：200907031887395910
Nikkaji number：J1.917.172H
Glutaric acid [(2R,2′R)-2α,2′α-bis[3,4-bis(benzyloxy)phenyl]-5,5′,7,7′-tetrakis(benzyloxy)-4β,8′-bichroman-3α,3′β-diyl] ester
グルタル酸[(2R,2′R)-2α,2′α-ビス[3,4-ビス(ベンジルオキシ)フェニル]-5,5′,7,7′-テトラキス(ベンジルオキシ)-4β,8′-ビクロマン-3α,3′β-ジイル]
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
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
Molecular formula： C91H78O14
Molecular formula furigana： C91-H78-O14
Molecular weight： 1395.611
InChI：
InChI=1S/C91H78O14/c92-83-42-25-43-84(93)104-91-87(85-79(100-60-68-38-21-7-22-39-68)50-72(94-54-62-26-9-1-10-27-62)51-81(85)103-89(91)71-45-47-75(96-56-64-30-13-3-14-31-64)78(49-71)99-59-67-36-19-6-20-37-67)86-80(101-61-69-40-23-8-24-41-69)53-76(97-57-65-32-15-4-16-33-65)73-52-82(102-83)88(105-90(73)86)70-44-46-74(95-55-63-28-11-2-12-29-63)77(48-70)98-58-66-34-17-5-18-35-66/h1-24,26-41,44-51,53,82,87-89,91H,25,42-43,52,54-61H2/t82-,87+,88+,89+,91+/m0/s1
InChI key：
CKUTZOSJBYFESI-KQSISYJVSA-N
SMILES：
O=C1CCCC(=O)O[C@H]2[C@H](Oc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3[C@@H]2c2c(OCc3ccccc3)cc(OCc3ccccc3)c3C[C@H](O1)[C@H](Oc23)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Systematic name (3)：
- グルタル酸[(2R,2′R)-2α,2′α-ビス[3,4-ビス(ベンジルオキシ)フェニル]-5,5′,7,7′-テトラキス(ベンジルオキシ)-4β,8′-ビクロマン-3α,3′β-ジイル]
- (6R,14R,15R,23S,24R)-2,4,8,10-テトラキス(ベンジルオキシ)-14,24-ビス[3,4-ビス(ベンジルオキシ)フェニル]-13,16,22,25-テトラオキサペンタシクロ[21.3.1.05,26.06,15.07,12]ヘプタコサ-1(26),2,4,7,9,11-ヘキサエン-17,21-ジオン
- (6R,14R,15R,23S,24R)-2,4,8,10-tetrakis(benzyloxy)-14,24-bis[3,4-bis(benzyloxy)phenyl]-13,16,22,25-tetraoxapentacyclo[21.3.1.05,26.06,15.07,12]heptacosa-1(26),2,4,7,9,11-hexaene-17,21-dione
- Glutaric acid [(2R,2′R)-2α,2′α-bis[3,4-bis(benzyloxy)phenyl]-5,5′,7,7′-tetrakis(benzyloxy)-4β,8′-bichroman-3α,3′β-diyl] ester
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