Chem
J-GLOBAL ID:200907059961976345   Nikkaji number:J1.917.164G

Succinic acid bis[(2R)-2α-[3,4-bis(benzyloxy)phenyl]-4β-(2-ethoxyethoxy)-5,7-bis(benzyloxy)chroman-3β-yl] ester

こはく酸ビス[(2R)-2α-[3,4-ビス(ベンジルオキシ)フェニル]-4β-(2-エトキシエトキシ)-5,7-ビス(ベンジルオキシ)クロマン-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: C98H94O18
Molecular formula furigana: C98-H94-O18
Molecular weight: 1559.812
InChI: InChI=1S/C98H94O18/c1-3-101-51-53-103-95-91-85(111-67-75-41-25-11-26-42-75)57-79(105-61-69-29-13-5-14-30-69)59-87(91)113-93(77-45-47-81(107-63-71-33-17-7-18-34-71)83(55-77)109-65-73-37-21-9-22-38-73)97(95)115-89(99)49-50-90(100)116-98-94(78-46-48-82(108-64-72-35-19-8-20-36-72)84(56-78)110-66-74-39-23-10-24-40-74)114-88-60-80(106-62-70-31-15-6-16-32-70)58-86(112-68-76-43-27-12-28-44-76)92(88)96(98)104-54-52-102-4-2/h5-48,55-60,93-98H,3-4,49-54,61-68H2,1-2H3/t93-,94-,95+,96+,97-,98-/m1/s1
InChI key: PYSQZACFNYVONE-FLCTYLTESA-N
SMILES: CCOCCO[C@@H]1[C@H](OC(=O)CCC(=O)O[C@H]2[C@@H](OCCOCC)c3c(OCc4ccccc4)cc(OCc4ccccc4)cc3O[C@@H]2c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@H](Oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Systematic name  (3):
  • こはく酸ビス[(2R)-2α-[3,4-ビス(ベンジルオキシ)フェニル]-4β-(2-エトキシエトキシ)-5,7-ビス(ベンジルオキシ)クロマン-3β-イル]
  • ビス[(2R,3S,4S)-5,7-ビス(ベンジルオキシ)-2-[3,4-ビス(ベンジルオキシ)フェニル]-4-(2-エトキシエトキシ)-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル] ブタンジオアート
  • bis[(2R,3S,4S)-5,7-bis(benzyloxy)-2-[3,4-bis(benzyloxy)phenyl]-4-(2-ethoxyethoxy)-3,4-dihydro-2H-1-benzopyran-3-yl] butanedioate
Other name (1):
  • Succinic acid bis[(2R)-2α-[3,4-bis(benzyloxy)phenyl]-4β-(2-ethoxyethoxy)-5,7-bis(benzyloxy)chroman-3β-yl] ester
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